1-(6-chlorocyclohexen-1-yl)piperidine

C11H18ClN — CID 12512496

IUPAC1-(6-chlorocyclohexen-1-yl)piperidine
SMILESClC1CCCC=C1N1CCCCC1
InChIInChI=1S/C11H18ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h7,10H,1-6,8-9H2
InChIKeyAYJKJRUVMMJSOG-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.15
Rot. Bonds1

About 1-(6-chlorocyclohexen-1-yl)piperidine

1-(6-chlorocyclohexen-1-yl)piperidine (PubChem CID 12512496) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 1-(6-chlorocyclohexen-1-yl)piperidine.

Molecular Properties

Compound Name1-(6-chlorocyclohexen-1-yl)piperidine
PubChem CID12512496
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name1-(6-chlorocyclohexen-1-yl)piperidine
SMILESClC1CCCC=C1N1CCCCC1
InChIInChI=1S/C11H18ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h7,10H,1-6,8-9H2
InChIKeyAYJKJRUVMMJSOG-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorocyclohexen-1-yl)piperidine?
The IUPAC name of 1-(6-chlorocyclohexen-1-yl)piperidine (CID 12512496) is 1-(6-chlorocyclohexen-1-yl)piperidine.
What is the SMILES notation for 1-(6-chlorocyclohexen-1-yl)piperidine?
The canonical SMILES for 1-(6-chlorocyclohexen-1-yl)piperidine is ClC1CCCC=C1N1CCCCC1.
What is the InChIKey of 1-(6-chlorocyclohexen-1-yl)piperidine?
The InChIKey is AYJKJRUVMMJSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h7,10H,1-6,8-9H2.
What are the key properties of 1-(6-chlorocyclohexen-1-yl)piperidine?
1-(6-chlorocyclohexen-1-yl)piperidine has a molecular weight of 199.72 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorocyclohexen-1-yl)piperidine is sourced from PubChem (CID 12512496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).