2-benzyl-1-(5-phenylpentyl)piperidine

C23H31N — CID 54087039

IUPAC2-benzyl-1-(5-phenylpentyl)piperidine
SMILESc1ccc(CCCCCN2CCCCC2Cc2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-4-12-21(13-5-1)14-8-3-10-18-24-19-11-9-17-23(24)20-22-15-6-2-7-16-22/h1-2,4-7,12-13,15-16,23H,3,8-11,14,17-20H2
InChIKeyMRFAXCRKEPEXIC-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.50
Rot. Bonds8

About 2-benzyl-1-(5-phenylpentyl)piperidine

2-benzyl-1-(5-phenylpentyl)piperidine (PubChem CID 54087039) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-benzyl-1-(5-phenylpentyl)piperidine.

Molecular Properties

Compound Name2-benzyl-1-(5-phenylpentyl)piperidine
PubChem CID54087039
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC Name2-benzyl-1-(5-phenylpentyl)piperidine
SMILESc1ccc(CCCCCN2CCCCC2Cc2ccccc2)cc1
InChIInChI=1S/C23H31N/c1-4-12-21(13-5-1)14-8-3-10-18-24-19-11-9-17-23(24)20-22-15-6-2-7-16-22/h1-2,4-7,12-13,15-16,23H,3,8-11,14,17-20H2
InChIKeyMRFAXCRKEPEXIC-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(5-phenylpentyl)piperidine?
The IUPAC name of 2-benzyl-1-(5-phenylpentyl)piperidine (CID 54087039) is 2-benzyl-1-(5-phenylpentyl)piperidine.
What is the SMILES notation for 2-benzyl-1-(5-phenylpentyl)piperidine?
The canonical SMILES for 2-benzyl-1-(5-phenylpentyl)piperidine is c1ccc(CCCCCN2CCCCC2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(5-phenylpentyl)piperidine?
The InChIKey is MRFAXCRKEPEXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N/c1-4-12-21(13-5-1)14-8-3-10-18-24-19-11-9-17-23(24)20-22-15-6-2-7-16-22/h1-2,4-7,12-13,15-16,23H,3,8-11,14,17-20H2.
What are the key properties of 2-benzyl-1-(5-phenylpentyl)piperidine?
2-benzyl-1-(5-phenylpentyl)piperidine has a molecular weight of 321.51 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(5-phenylpentyl)piperidine is sourced from PubChem (CID 54087039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).