4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine

C15H26BN3O2 — CID 142458257

IUPAC4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESCC1(C)OB(c2cnn(CC3CCNCC3)c2)OC1(C)C
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-18-19(11-13)10-12-5-7-17-8-6-12/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyDXMQVFZRAQRTPJ-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.18
Rot. Bonds3

About 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine

4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine (PubChem CID 142458257) has the molecular formula C15H26BN3O2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
PubChem CID142458257
Molecular FormulaC15H26BN3O2
Molecular Weight291.20 g/mol
Exact Mass291.21
IUPAC Name4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESCC1(C)OB(c2cnn(CC3CCNCC3)c2)OC1(C)C
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-18-19(11-13)10-12-5-7-17-8-6-12/h9,11-12,17H,5-8,10H2,1-4H3
InChIKeyDXMQVFZRAQRTPJ-UHFFFAOYSA-N
XLogP1.18
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine (CID 142458257) is 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine is CC1(C)OB(c2cnn(CC3CCNCC3)c2)OC1(C)C.
What is the InChIKey of 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is DXMQVFZRAQRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)13-9-18-19(11-13)10-12-5-7-17-8-6-12/h9,11-12,17H,5-8,10H2,1-4H3.
What are the key properties of 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine?
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 291.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 142458257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).