4-phenyl-1-(4-phenylbutyl)piperidine

C21H27N — CID 3035672

IUPAC4-phenyl-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
InChIKeyHQGDPZPNAXRCSA-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.89
Rot. Bonds6

About 4-phenyl-1-(4-phenylbutyl)piperidine

4-phenyl-1-(4-phenylbutyl)piperidine (PubChem CID 3035672) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylbutyl)piperidine
PubChem CID3035672
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4-phenyl-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
InChIKeyHQGDPZPNAXRCSA-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-phenyl-1-(4-phenylbutyl)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 4-phenyl-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-phenyl-1-(4-phenylbutyl)piperidine (CID 3035672) is 4-phenyl-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-phenyl-1-(4-phenylbutyl)piperidine is c1ccc(CCCCN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-(4-phenylbutyl)piperidine?
The InChIKey is HQGDPZPNAXRCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2.
What are the key properties of 4-phenyl-1-(4-phenylbutyl)piperidine?
4-phenyl-1-(4-phenylbutyl)piperidine has a molecular weight of 293.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 3035672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).