1-(2,6-dichlorocyclohexen-1-yl)piperidine

C11H17Cl2N — CID 12512500

IUPAC1-(2,6-dichlorocyclohexen-1-yl)piperidine
SMILESClC1=C(N2CCCCC2)C(Cl)CCC1
InChIInChI=1S/C11H17Cl2N/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14/h9H,1-8H2
InChIKeyPZLCMXYUJRIXHT-UHFFFAOYSA-N
MW234.17 g/mol
LogP3.71
Rot. Bonds1

About 1-(2,6-dichlorocyclohexen-1-yl)piperidine

1-(2,6-dichlorocyclohexen-1-yl)piperidine (PubChem CID 12512500) has the molecular formula C11H17Cl2N and a molecular weight of 234.17 g/mol. Its IUPAC name is 1-(2,6-dichlorocyclohexen-1-yl)piperidine.

Molecular Properties

Compound Name1-(2,6-dichlorocyclohexen-1-yl)piperidine
PubChem CID12512500
Molecular FormulaC11H17Cl2N
Molecular Weight234.17 g/mol
Exact Mass233.07
IUPAC Name1-(2,6-dichlorocyclohexen-1-yl)piperidine
SMILESClC1=C(N2CCCCC2)C(Cl)CCC1
InChIInChI=1S/C11H17Cl2N/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14/h9H,1-8H2
InChIKeyPZLCMXYUJRIXHT-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(6-Chlorocyclohexen-1-yl)piperidine
CID 12512496

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorocyclohexen-1-yl)piperidine?
The IUPAC name of 1-(2,6-dichlorocyclohexen-1-yl)piperidine (CID 12512500) is 1-(2,6-dichlorocyclohexen-1-yl)piperidine.
What is the SMILES notation for 1-(2,6-dichlorocyclohexen-1-yl)piperidine?
The canonical SMILES for 1-(2,6-dichlorocyclohexen-1-yl)piperidine is ClC1=C(N2CCCCC2)C(Cl)CCC1.
What is the InChIKey of 1-(2,6-dichlorocyclohexen-1-yl)piperidine?
The InChIKey is PZLCMXYUJRIXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14/h9H,1-8H2.
What are the key properties of 1-(2,6-dichlorocyclohexen-1-yl)piperidine?
1-(2,6-dichlorocyclohexen-1-yl)piperidine has a molecular weight of 234.17 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorocyclohexen-1-yl)piperidine is sourced from PubChem (CID 12512500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).