(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol

C13H17Cl2NO2 — CID 94379698

IUPAC(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
SMILESO[C@H]1CCCN(C[C@H](O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2NO2/c14-9-3-4-12(15)11(6-9)13(18)8-16-5-1-2-10(17)7-16/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13-/m0/s1
InChIKeyKDPGERNJUSMQKS-GWCFXTLKSA-N
MW290.19 g/mol
LogP2.48
Rot. Bonds3

About (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol

(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol (PubChem CID 94379698) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
PubChem CID94379698
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
SMILESO[C@H]1CCCN(C[C@H](O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H17Cl2NO2/c14-9-3-4-12(15)11(6-9)13(18)8-16-5-1-2-10(17)7-16/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13-/m0/s1
InChIKeyKDPGERNJUSMQKS-GWCFXTLKSA-N
XLogP2.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol 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

(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001
(1S)-1-(2,5-dichlorophenyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 100839211
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818586
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
(1S)-1-(2,5-dichlorophenyl)-2-[(2S)-2,4-dimethylpiperazin-1-yl]ethanol
CID 100857129
1-(2,5-dichlorophenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanol
CID 71877571
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol (CID 94379698) is (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol is O[C@H]1CCCN(C[C@H](O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol?
The InChIKey is KDPGERNJUSMQKS-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-9-3-4-12(15)11(6-9)13(18)8-16-5-1-2-10(17)7-16/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13-/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol?
(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol has a molecular weight of 290.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol is sourced from PubChem (CID 94379698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).