Research chemical
CAS Number: 2413377-63-4
![Piperidine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 2,2,2-trifluoroacetate (1:1) molecular structure, CAS 2413377-63-4](/structure-images/2413377-63-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
178190532
Exact Mass
391.189021
InChIKey
SEFGDUHLHYSYKW-UHFFFAOYSA-N
IUPAC Name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine;2,2,2-trifluoroacetic acid
SMILES String
CC1(C)OB(c2cnn(C3CCNCC3)c2)OC1(C)C.O=C(O)C(F)(F)F
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Piperidine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 2,2,2-trifluoroacetate (1:1) is identified by CAS 2413377-63-4, with molecular formula C16H25BF3N3O4, molecular weight 391.2, InChIKey SEFGDUHLHYSYKW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
27
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
2
Ring count
3
Aromatic rings
1
Topological polar surface area
85.61 Ų
Computed LogP
1.74
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Piperidine, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 2,2,2-trifluoroacetate (1:1) (CAS 2413377-63-4) is maintained as a commercial cas reference with formula C16H25BF3N3O4, molecular weight 391. 20 g/mol, PubChem CID 178190532.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.