(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

C26H30N2O — CID 10091563

IUPAC(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-24-17-9-8-15-22(24)19-28-23-16-10-18-27-26(23)25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25-28H,10,16,18-19H2,1H3/t23-,26+/m0/s1
InChIKeyVYTFGBLFUQBGTK-JYFHCDHNSA-N
MW386.54 g/mol
LogP4.74
Rot. Bonds7

About (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 10091563) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID10091563
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-24-17-9-8-15-22(24)19-28-23-16-10-18-27-26(23)25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25-28H,10,16,18-19H2,1H3/t23-,26+/m0/s1
InChIKeyVYTFGBLFUQBGTK-JYFHCDHNSA-N
XLogP4.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-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 (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (CID 10091563) is (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is COc1ccccc1CN[C@H]1CCCN[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is VYTFGBLFUQBGTK-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-24-17-9-8-15-22(24)19-28-23-16-10-18-27-26(23)25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25-28H,10,16,18-19H2,1H3/t23-,26+/m0/s1.
What are the key properties of (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
(2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 10091563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).