1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride

C17H34ClN — CID 57402891

IUPAC1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCCC2CCCCC2)C1.Cl
InChIInChI=1S/C17H33N.ClH/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16;/h16H,3-15H2,1-2H3;1H
InChIKeySQLPQBLCEKUPJK-UHFFFAOYSA-N
MW287.92 g/mol
LogP5.28
Rot. Bonds5

About 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride

1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride (PubChem CID 57402891) has the molecular formula C17H34ClN and a molecular weight of 287.92 g/mol. Its IUPAC name is 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride
PubChem CID57402891
Molecular FormulaC17H34ClN
Molecular Weight287.92 g/mol
Exact Mass287.24
IUPAC Name1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCN(CCCCC2CCCCC2)C1.Cl
InChIInChI=1S/C17H33N.ClH/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16;/h16H,3-15H2,1-2H3;1H
InChIKeySQLPQBLCEKUPJK-UHFFFAOYSA-N
XLogP5.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.92
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride 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-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride (CID 57402891) is 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCN(CCCCC2CCCCC2)C1.Cl.
What is the InChIKey of 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is SQLPQBLCEKUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N.ClH/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16;/h16H,3-15H2,1-2H3;1H.
What are the key properties of 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride?
1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 287.92 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutyl)-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 57402891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).