4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine

C24H33NO — CID 44563685

IUPAC4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine
SMILESc1ccc(CCCOCCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33NO/c1-3-9-22(10-4-1)13-7-19-26-20-8-16-25-17-14-24(15-18-25)21-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21H2
InChIKeyXBQBYNHFYXHMHB-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.98
Rot. Bonds10

About 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine

4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine (PubChem CID 44563685) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine
PubChem CID44563685
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine
SMILESc1ccc(CCCOCCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H33NO/c1-3-9-22(10-4-1)13-7-19-26-20-8-16-25-17-14-24(15-18-25)21-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21H2
InChIKeyXBQBYNHFYXHMHB-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-(3-phenylpropoxy)propyl]piperidine?
The IUPAC name of 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine (CID 44563685) is 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
The canonical SMILES for 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine is c1ccc(CCCOCCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
The InChIKey is XBQBYNHFYXHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-3-9-22(10-4-1)13-7-19-26-20-8-16-25-17-14-24(15-18-25)21-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21H2.
What are the key properties of 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine?
4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine has a molecular weight of 351.53 g/mol, XLogP of 4.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(3-phenylpropoxy)propyl]piperidine is sourced from PubChem (CID 44563685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).