1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone

C21H26N2O2 — CID 87053343

IUPAC1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
SMILESCN(C)[C@@H]1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(2)19-16-23(20(24)15-17-9-5-3-6-10-17)14-13-21(19,25)18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3/t19-,21?/m1/s1
InChIKeyQVWDKAVIJNADOY-YMBRHYMPSA-N
MW338.45 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone

1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone (PubChem CID 87053343) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
PubChem CID87053343
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone
SMILESCN(C)[C@@H]1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(2)19-16-23(20(24)15-17-9-5-3-6-10-17)14-13-21(19,25)18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3/t19-,21?/m1/s1
InChIKeyQVWDKAVIJNADOY-YMBRHYMPSA-N
XLogP2.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone 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-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone (CID 87053343) is 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone is CN(C)[C@@H]1CN(C(=O)Cc2ccccc2)CCC1(O)c1ccccc1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is QVWDKAVIJNADOY-YMBRHYMPSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)19-16-23(20(24)15-17-9-5-3-6-10-17)14-13-21(19,25)18-11-7-4-8-12-18/h3-12,19,25H,13-16H2,1-2H3/t19-,21?/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone?
1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 338.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 87053343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).