4-(4-chloropyrazol-1-yl)piperidine;hydrochloride

C8H13Cl2N3 — CID 71758511

IUPAC4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
SMILESCl.Clc1cnn(C2CCNCC2)c1
InChIInChI=1S/C8H12ClN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H
InChIKeyFVUGWEMWJJQHRK-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.88
Rot. Bonds1

About 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride

4-(4-chloropyrazol-1-yl)piperidine;hydrochloride (PubChem CID 71758511) has the molecular formula C8H13Cl2N3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
PubChem CID71758511
Molecular FormulaC8H13Cl2N3
Molecular Weight222.12 g/mol
Exact Mass221.05
IUPAC Name4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
SMILESCl.Clc1cnn(C2CCNCC2)c1
InChIInChI=1S/C8H12ClN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H
InChIKeyFVUGWEMWJJQHRK-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride (CID 71758511) is 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride is Cl.Clc1cnn(C2CCNCC2)c1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is FVUGWEMWJJQHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H.
What are the key properties of 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride?
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 71758511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).