1-[1-(3-phenylpropyl)cyclohexyl]piperidine

C20H31N — CID 71415432

IUPAC1-[1-(3-phenylpropyl)cyclohexyl]piperidine
SMILESc1ccc(CCCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C20H31N/c1-4-11-19(12-5-1)13-10-16-20(14-6-2-7-15-20)21-17-8-3-9-18-21/h1,4-5,11-12H,2-3,6-10,13-18H2
InChIKeyJAYSERSYZOOROZ-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.20
Rot. Bonds5

About 1-[1-(3-phenylpropyl)cyclohexyl]piperidine

1-[1-(3-phenylpropyl)cyclohexyl]piperidine (PubChem CID 71415432) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-[1-(3-phenylpropyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(3-phenylpropyl)cyclohexyl]piperidine
PubChem CID71415432
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-[1-(3-phenylpropyl)cyclohexyl]piperidine
SMILESc1ccc(CCCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C20H31N/c1-4-11-19(12-5-1)13-10-16-20(14-6-2-7-15-20)21-17-8-3-9-18-21/h1,4-5,11-12H,2-3,6-10,13-18H2
InChIKeyJAYSERSYZOOROZ-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3-phenylpropyl)cyclohexyl]piperidine 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-[1-(3-phenylpropyl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(3-phenylpropyl)cyclohexyl]piperidine (CID 71415432) is 1-[1-(3-phenylpropyl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(3-phenylpropyl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(3-phenylpropyl)cyclohexyl]piperidine is c1ccc(CCCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-[1-(3-phenylpropyl)cyclohexyl]piperidine?
The InChIKey is JAYSERSYZOOROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-11-19(12-5-1)13-10-16-20(14-6-2-7-15-20)21-17-8-3-9-18-21/h1,4-5,11-12H,2-3,6-10,13-18H2.
What are the key properties of 1-[1-(3-phenylpropyl)cyclohexyl]piperidine?
1-[1-(3-phenylpropyl)cyclohexyl]piperidine has a molecular weight of 285.47 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylpropyl)cyclohexyl]piperidine is sourced from PubChem (CID 71415432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).