1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine

C20H26N2O — CID 784035

IUPAC1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-20-9-7-17(8-10-20)15-21-19-11-13-22(14-12-19)16-18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
InChIKeyYIMSPZSPOCILQU-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.45
Rot. Bonds6

About 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine

1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 784035) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID784035
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-20-9-7-17(8-10-20)15-21-19-11-13-22(14-12-19)16-18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3
InChIKeyYIMSPZSPOCILQU-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine 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-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine (CID 784035) is 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine is COc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is YIMSPZSPOCILQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-20-9-7-17(8-10-20)15-21-19-11-13-22(14-12-19)16-18-5-3-2-4-6-18/h2-10,19,21H,11-16H2,1H3.
What are the key properties of 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine?
1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 784035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).