1-hexyl-4-methylpiperidine

C12H25N — CID 4525600

IUPAC1-hexyl-4-methylpiperidine
SMILESCCCCCCN1CCC(C)CC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-9-13-10-7-12(2)8-11-13/h12H,3-11H2,1-2H3
InChIKeyJFTNESUGLJGDJP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds5

About 1-hexyl-4-methylpiperidine

1-hexyl-4-methylpiperidine (PubChem CID 4525600) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-hexyl-4-methylpiperidine.

Molecular Properties

Compound Name1-hexyl-4-methylpiperidine
PubChem CID4525600
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-hexyl-4-methylpiperidine
SMILESCCCCCCN1CCC(C)CC1
InChIInChI=1S/C12H25N/c1-3-4-5-6-9-13-10-7-12(2)8-11-13/h12H,3-11H2,1-2H3
InChIKeyJFTNESUGLJGDJP-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hexyl-4-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 1-hexyl-4-methylpiperidine?
The IUPAC name of 1-hexyl-4-methylpiperidine (CID 4525600) is 1-hexyl-4-methylpiperidine.
What is the SMILES notation for 1-hexyl-4-methylpiperidine?
The canonical SMILES for 1-hexyl-4-methylpiperidine is CCCCCCN1CCC(C)CC1.
What is the InChIKey of 1-hexyl-4-methylpiperidine?
The InChIKey is JFTNESUGLJGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-9-13-10-7-12(2)8-11-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-hexyl-4-methylpiperidine?
1-hexyl-4-methylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methylpiperidine is sourced from PubChem (CID 4525600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).