1-benzyl-4-(3-phenylpropoxymethyl)piperidine

C22H29NO — CID 10426373

IUPAC1-benzyl-4-(3-phenylpropoxymethyl)piperidine
SMILESc1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2
InChIKeyCSHFTPUNJFOMTD-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.55
Rot. Bonds8

About 1-benzyl-4-(3-phenylpropoxymethyl)piperidine

1-benzyl-4-(3-phenylpropoxymethyl)piperidine (PubChem CID 10426373) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenylpropoxymethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenylpropoxymethyl)piperidine
PubChem CID10426373
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-benzyl-4-(3-phenylpropoxymethyl)piperidine
SMILESc1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2
InChIKeyCSHFTPUNJFOMTD-UHFFFAOYSA-N
XLogP4.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.55
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 1-benzyl-4-(3-phenylpropoxymethyl)piperidine?
The IUPAC name of 1-benzyl-4-(3-phenylpropoxymethyl)piperidine (CID 10426373) is 1-benzyl-4-(3-phenylpropoxymethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-phenylpropoxymethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-phenylpropoxymethyl)piperidine is c1ccc(CCCOCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-phenylpropoxymethyl)piperidine?
The InChIKey is CSHFTPUNJFOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2.
What are the key properties of 1-benzyl-4-(3-phenylpropoxymethyl)piperidine?
1-benzyl-4-(3-phenylpropoxymethyl)piperidine has a molecular weight of 323.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenylpropoxymethyl)piperidine is sourced from PubChem (CID 10426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).