4-(cyclohexylidenemethyl)-1-methylpiperidine

C13H23N — CID 142178212

IUPAC4-(cyclohexylidenemethyl)-1-methylpiperidine
SMILESCN1CCC(C=C2CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h11,13H,2-10H2,1H3
InChIKeyADMPUJSJOJMQDY-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.22
Rot. Bonds1

About 4-(cyclohexylidenemethyl)-1-methylpiperidine

4-(cyclohexylidenemethyl)-1-methylpiperidine (PubChem CID 142178212) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-(cyclohexylidenemethyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(cyclohexylidenemethyl)-1-methylpiperidine
PubChem CID142178212
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-(cyclohexylidenemethyl)-1-methylpiperidine
SMILESCN1CCC(C=C2CCCCC2)CC1
InChIInChI=1S/C13H23N/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h11,13H,2-10H2,1H3
InChIKeyADMPUJSJOJMQDY-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(cyclohexylidenemethyl)-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylidenemethyl)-1-methylpiperidine?
The IUPAC name of 4-(cyclohexylidenemethyl)-1-methylpiperidine (CID 142178212) is 4-(cyclohexylidenemethyl)-1-methylpiperidine.
What is the SMILES notation for 4-(cyclohexylidenemethyl)-1-methylpiperidine?
The canonical SMILES for 4-(cyclohexylidenemethyl)-1-methylpiperidine is CN1CCC(C=C2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylidenemethyl)-1-methylpiperidine?
The InChIKey is ADMPUJSJOJMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h11,13H,2-10H2,1H3.
What are the key properties of 4-(cyclohexylidenemethyl)-1-methylpiperidine?
4-(cyclohexylidenemethyl)-1-methylpiperidine has a molecular weight of 193.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylidenemethyl)-1-methylpiperidine is sourced from PubChem (CID 142178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).