4-benzyl-1-(4-phenylbutyl)piperidine

C22H29N — CID 11722772

IUPAC4-benzyl-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N/c1-3-9-20(10-4-1)11-7-8-16-23-17-14-22(15-18-23)19-21-12-5-2-6-13-21/h1-6,9-10,12-13,22H,7-8,11,14-19H2
InChIKeyJWQSCIOWKPWNLB-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.96
Rot. Bonds7

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

4-benzyl-1-(4-phenylbutyl)piperidine (PubChem CID 11722772) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-benzyl-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-phenylbutyl)piperidine
PubChem CID11722772
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-benzyl-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N/c1-3-9-20(10-4-1)11-7-8-16-23-17-14-22(15-18-23)19-21-12-5-2-6-13-21/h1-6,9-10,12-13,22H,7-8,11,14-19H2
InChIKeyJWQSCIOWKPWNLB-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.96
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 4-benzyl-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-benzyl-1-(4-phenylbutyl)piperidine (CID 11722772) is 4-benzyl-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-benzyl-1-(4-phenylbutyl)piperidine is c1ccc(CCCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(4-phenylbutyl)piperidine?
The InChIKey is JWQSCIOWKPWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-3-9-20(10-4-1)11-7-8-16-23-17-14-22(15-18-23)19-21-12-5-2-6-13-21/h1-6,9-10,12-13,22H,7-8,11,14-19H2.
What are the key properties of 4-benzyl-1-(4-phenylbutyl)piperidine?
4-benzyl-1-(4-phenylbutyl)piperidine has a molecular weight of 307.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 11722772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).