1-[3-(4-phenylphenyl)butyl]piperidine

C21H27N — CID 46893281

IUPAC1-[3-(4-phenylphenyl)butyl]piperidine
SMILESCC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3
InChIKeyBJQAKTZCQPXMQT-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.33
Rot. Bonds5

About 1-[3-(4-phenylphenyl)butyl]piperidine

1-[3-(4-phenylphenyl)butyl]piperidine (PubChem CID 46893281) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[3-(4-phenylphenyl)butyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-phenylphenyl)butyl]piperidine
PubChem CID46893281
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-[3-(4-phenylphenyl)butyl]piperidine
SMILESCC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3
InChIKeyBJQAKTZCQPXMQT-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-(4-phenylphenyl)butyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

CID 2913
CID 2913
CID 6468
CID 6468
CID 2895
CID 2895
CID 11291
CID 11291
CID 91694
CID 91694
CID 13770
CID 13770
CID 6126
CID 6126
CID 5205
CID 5205
CID 68778
CID 68778
CID 9795678
CID 9795678
CID 3678
CID 3678
CID 21772
CID 21772

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylphenyl)butyl]piperidine?
The IUPAC name of 1-[3-(4-phenylphenyl)butyl]piperidine (CID 46893281) is 1-[3-(4-phenylphenyl)butyl]piperidine.
What is the SMILES notation for 1-[3-(4-phenylphenyl)butyl]piperidine?
The canonical SMILES for 1-[3-(4-phenylphenyl)butyl]piperidine is CC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-phenylphenyl)butyl]piperidine?
The InChIKey is BJQAKTZCQPXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-18(14-17-22-15-6-3-7-16-22)19-10-12-21(13-11-19)20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3.
What are the key properties of 1-[3-(4-phenylphenyl)butyl]piperidine?
1-[3-(4-phenylphenyl)butyl]piperidine has a molecular weight of 293.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylphenyl)butyl]piperidine is sourced from PubChem (CID 46893281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).