4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine

C12H20ClN — CID 70372482

IUPAC4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine
SMILESClC1=CCC(CC2CCNCC2)CC1
InChIInChI=1S/C12H20ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h3,10-11,14H,1-2,4-9H2
InChIKeyYISSQIXMYJVCFS-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.30
Rot. Bonds2

About 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine

4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine (PubChem CID 70372482) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine
PubChem CID70372482
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine
SMILESClC1=CCC(CC2CCNCC2)CC1
InChIInChI=1S/C12H20ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h3,10-11,14H,1-2,4-9H2
InChIKeyYISSQIXMYJVCFS-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine?
The IUPAC name of 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine (CID 70372482) is 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine is ClC1=CCC(CC2CCNCC2)CC1.
What is the InChIKey of 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine?
The InChIKey is YISSQIXMYJVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h3,10-11,14H,1-2,4-9H2.
What are the key properties of 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine?
4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine has a molecular weight of 213.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorocyclohex-3-en-1-yl)methyl]piperidine is sourced from PubChem (CID 70372482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).