2-(1H-pyrazol-4-yl)piperidine

C8H13N3 — CID 54593248

IUPAC2-(1H-pyrazol-4-yl)piperidine
SMILESc1n[nH]cc1C1CCCCN1
InChIInChI=1S/C8H13N3/c1-2-4-9-8(3-1)7-5-10-11-6-7/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyQNOKDKCXNOEKGL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.22
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)piperidine

2-(1H-pyrazol-4-yl)piperidine (PubChem CID 54593248) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)piperidine
PubChem CID54593248
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(1H-pyrazol-4-yl)piperidine
SMILESc1n[nH]cc1C1CCCCN1
InChIInChI=1S/C8H13N3/c1-2-4-9-8(3-1)7-5-10-11-6-7/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyQNOKDKCXNOEKGL-UHFFFAOYSA-N
XLogP1.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 2-(1H-pyrazol-4-yl)piperidine (CID 54593248) is 2-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 2-(1H-pyrazol-4-yl)piperidine is c1n[nH]cc1C1CCCCN1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)piperidine?
The InChIKey is QNOKDKCXNOEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-4-9-8(3-1)7-5-10-11-6-7/h5-6,8-9H,1-4H2,(H,10,11).
What are the key properties of 2-(1H-pyrazol-4-yl)piperidine?
2-(1H-pyrazol-4-yl)piperidine has a molecular weight of 151.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 54593248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).