4-(pyrazol-1-ylmethyl)piperidine;hydrochloride

C9H16ClN3 — CID 66617726

IUPAC4-(pyrazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C9H15N3.ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;/h1,4,7,9-10H,2-3,5-6,8H2;1H
InChIKeyOGHQRWKHCXGVBE-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.30
Rot. Bonds2

About 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride

4-(pyrazol-1-ylmethyl)piperidine;hydrochloride (PubChem CID 66617726) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)piperidine;hydrochloride
PubChem CID66617726
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name4-(pyrazol-1-ylmethyl)piperidine;hydrochloride
SMILESCl.c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C9H15N3.ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;/h1,4,7,9-10H,2-3,5-6,8H2;1H
InChIKeyOGHQRWKHCXGVBE-UHFFFAOYSA-N
XLogP1.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride (CID 66617726) is 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride is Cl.c1cnn(CC2CCNCC2)c1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride?
The InChIKey is OGHQRWKHCXGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;/h1,4,7,9-10H,2-3,5-6,8H2;1H.
What are the key properties of 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride?
4-(pyrazol-1-ylmethyl)piperidine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 66617726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).