1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol

C20H23F2NO2 — CID 51503053

IUPAC1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C20H23F2NO2/c1-14-3-2-4-16(11-14)20(25)7-9-23(10-8-20)13-19(24)15-5-6-17(21)18(22)12-15/h2-6,11-12,19,24-25H,7-10,13H2,1H3/t19-/m1/s1
InChIKeyCWPBECFLAYLBAZ-LJQANCHMSA-N
MW347.41 g/mol
LogP3.29
Rot. Bonds4

About 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol

1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol (PubChem CID 51503053) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
PubChem CID51503053
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
SMILESCc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C20H23F2NO2/c1-14-3-2-4-16(11-14)20(25)7-9-23(10-8-20)13-19(24)15-5-6-17(21)18(22)12-15/h2-6,11-12,19,24-25H,7-10,13H2,1H3/t19-/m1/s1
InChIKeyCWPBECFLAYLBAZ-LJQANCHMSA-N
XLogP3.29
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol 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-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol (CID 51503053) is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol is Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol?
The InChIKey is CWPBECFLAYLBAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-14-3-2-4-16(11-14)20(25)7-9-23(10-8-20)13-19(24)15-5-6-17(21)18(22)12-15/h2-6,11-12,19,24-25H,7-10,13H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol?
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol has a molecular weight of 347.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 51503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).