(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol

C15H21F2NO2 — CID 95303642

IUPAC(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
SMILESC[C@H](O)[C@@H]1CCCCN1C[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(19)14-4-2-3-7-18(14)9-15(20)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15,19-20H,2-4,7,9H2,1H3/t10-,14-,15-/m0/s1
InChIKeyNJJHTAMVWGATLY-LKTVYLICSA-N
MW285.33 g/mol
LogP2.23
Rot. Bonds4

About (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol

(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol (PubChem CID 95303642) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
PubChem CID95303642
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
SMILESC[C@H](O)[C@@H]1CCCCN1C[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-10(19)14-4-2-3-7-18(14)9-15(20)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15,19-20H,2-4,7,9H2,1H3/t10-,14-,15-/m0/s1
InChIKeyNJJHTAMVWGATLY-LKTVYLICSA-N
XLogP2.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521582
(1S)-2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(3,4-difluorophenyl)ethanol
CID 124786656
1-(3,4-difluorophenyl)-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]ethanol
CID 62991182
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
CID 82215703
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
CID 111382198
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol (CID 95303642) is (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol is C[C@H](O)[C@@H]1CCCCN1C[C@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol?
The InChIKey is NJJHTAMVWGATLY-LKTVYLICSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-10(19)14-4-2-3-7-18(14)9-15(20)11-5-6-12(16)13(17)8-11/h5-6,8,10,14-15,19-20H,2-4,7,9H2,1H3/t10-,14-,15-/m0/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol?
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol has a molecular weight of 285.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95303642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).