1-benzyl-3-(3-methoxyphenyl)piperidine

C19H23NO — CID 12937939

IUPAC1-benzyl-3-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-21-19-11-5-9-17(13-19)18-10-6-12-20(15-18)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3
InChIKeyXADUXZWGQXGKNK-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds4

About 1-benzyl-3-(3-methoxyphenyl)piperidine

1-benzyl-3-(3-methoxyphenyl)piperidine (PubChem CID 12937939) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxyphenyl)piperidine
PubChem CID12937939
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-benzyl-3-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H23NO/c1-21-19-11-5-9-17(13-19)18-10-6-12-20(15-18)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3
InChIKeyXADUXZWGQXGKNK-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(3-methoxyphenyl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxyphenyl)piperidine?
The IUPAC name of 1-benzyl-3-(3-methoxyphenyl)piperidine (CID 12937939) is 1-benzyl-3-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 1-benzyl-3-(3-methoxyphenyl)piperidine?
The canonical SMILES for 1-benzyl-3-(3-methoxyphenyl)piperidine is COc1cccc(C2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-3-(3-methoxyphenyl)piperidine?
The InChIKey is XADUXZWGQXGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-19-11-5-9-17(13-19)18-10-6-12-20(15-18)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3.
What are the key properties of 1-benzyl-3-(3-methoxyphenyl)piperidine?
1-benzyl-3-(3-methoxyphenyl)piperidine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 12937939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).