1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine

C27H32N2O2 — CID 10202030

IUPAC1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-30-26-13-12-24(18-27(26)31-21-23-10-6-3-7-11-23)19-28-25-14-16-29(17-15-25)20-22-8-4-2-5-9-22/h2-13,18,25,28H,14-17,19-21H2,1H3
InChIKeyAHDQLGLZSMAQTG-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.03
Rot. Bonds9

About 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine

1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 10202030) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
PubChem CID10202030
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-30-26-13-12-24(18-27(26)31-21-23-10-6-3-7-11-23)19-28-25-14-16-29(17-15-25)20-22-8-4-2-5-9-22/h2-13,18,25,28H,14-17,19-21H2,1H3
InChIKeyAHDQLGLZSMAQTG-UHFFFAOYSA-N
XLogP5.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)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-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine (CID 10202030) is 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine is COc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is AHDQLGLZSMAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-30-26-13-12-24(18-27(26)31-21-23-10-6-3-7-11-23)19-28-25-14-16-29(17-15-25)20-22-8-4-2-5-9-22/h2-13,18,25,28H,14-17,19-21H2,1H3.
What are the key properties of 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine?
1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 416.57 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 10202030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).