(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol

C19H23NO2 — CID 102036092

IUPAC(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
SMILESO[C@H](c1ccccc1)[C@@H](O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23NO2/c21-18(15-7-3-1-4-8-15)19(22)16-9-11-17(12-10-16)20-13-5-2-6-14-20/h1,3-4,7-12,18-19,21-22H,2,5-6,13-14H2/t18-,19+/m1/s1
InChIKeyCDTGAMJHSJFIIS-MOPGFXCFSA-N
MW297.40 g/mol
LogP3.44
Rot. Bonds4

About (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol

(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol (PubChem CID 102036092) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
PubChem CID102036092
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
SMILESO[C@H](c1ccccc1)[C@@H](O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23NO2/c21-18(15-7-3-1-4-8-15)19(22)16-9-11-17(12-10-16)20-13-5-2-6-14-20/h1,3-4,7-12,18-19,21-22H,2,5-6,13-14H2/t18-,19+/m1/s1
InChIKeyCDTGAMJHSJFIIS-MOPGFXCFSA-N
XLogP3.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2,3-dihydroxy-3-(4-piperidin-1-ylphenyl)propanenitrile
CID 171871508
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
CID 69128866
2-[4-(azepan-1-yl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320152
2,3-dihydroxy-3-(4-pyrrolidin-1-ylphenyl)propanenitrile
CID 171871500
3-chloro-1-(4-pyrrolidin-1-ylphenyl)propane-1,2-diol
CID 171863294
3-amino-1-(4-pyrrolidin-1-ylphenyl)propane-1,2-diol
CID 170829272
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
ethane;methanol;1-phenylpiperidine
CID 177175072
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol?
The IUPAC name of (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol (CID 102036092) is (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol?
The canonical SMILES for (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol is O[C@H](c1ccccc1)[C@@H](O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol?
The InChIKey is CDTGAMJHSJFIIS-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(15-7-3-1-4-8-15)19(22)16-9-11-17(12-10-16)20-13-5-2-6-14-20/h1,3-4,7-12,18-19,21-22H,2,5-6,13-14H2/t18-,19+/m1/s1.
What are the key properties of (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol?
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol has a molecular weight of 297.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol is sourced from PubChem (CID 102036092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).