4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine

C13H22ClN — CID 70372498

IUPAC4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine
SMILESClC1CC=C(CCC2CCNCC2)CC1
InChIInChI=1S/C13H22ClN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3,12-13,15H,1-2,4-10H2
InChIKeySGJRTZYBNCLWBD-UHFFFAOYSA-N
MW227.78 g/mol
LogP3.48
Rot. Bonds3

About 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine

4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine (PubChem CID 70372498) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine
PubChem CID70372498
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine
SMILESClC1CC=C(CCC2CCNCC2)CC1
InChIInChI=1S/C13H22ClN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3,12-13,15H,1-2,4-10H2
InChIKeySGJRTZYBNCLWBD-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine (CID 70372498) is 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine is ClC1CC=C(CCC2CCNCC2)CC1.
What is the InChIKey of 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine?
The InChIKey is SGJRTZYBNCLWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN/c14-13-5-3-11(4-6-13)1-2-12-7-9-15-10-8-12/h3,12-13,15H,1-2,4-10H2.
What are the key properties of 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine?
4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine has a molecular weight of 227.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorocyclohexen-1-yl)ethyl]piperidine is sourced from PubChem (CID 70372498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).