4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one

C12H15FN2O2 — CID 34182694

IUPAC4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
SMILESO=C1CN(C[C@H](O)c2ccccc2F)CCN1
InChIInChI=1S/C12H15FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-6-5-14-12(17)8-15/h1-4,11,16H,5-8H2,(H,14,17)/t11-/m0/s1
InChIKeyOEKYHOMBIOLWIH-NSHDSACASA-N
MW238.26 g/mol
LogP0.29
Rot. Bonds3

About 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one

4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one (PubChem CID 34182694) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
PubChem CID34182694
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one
SMILESO=C1CN(C[C@H](O)c2ccccc2F)CCN1
InChIInChI=1S/C12H15FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-6-5-14-12(17)8-15/h1-4,11,16H,5-8H2,(H,14,17)/t11-/m0/s1
InChIKeyOEKYHOMBIOLWIH-NSHDSACASA-N
XLogP0.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 110897257
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-2-one
CID 65360931
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
(1R)-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(2-fluorophenyl)ethanol
CID 124506000
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylimidazolidin-2-one
CID 114059412

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The IUPAC name of 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one (CID 34182694) is 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one is O=C1CN(C[C@H](O)c2ccccc2F)CCN1.
What is the InChIKey of 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The InChIKey is OEKYHOMBIOLWIH-NSHDSACASA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-4-2-1-3-9(10)11(16)7-15-6-5-14-12(17)8-15/h1-4,11,16H,5-8H2,(H,14,17)/t11-/m0/s1.
What are the key properties of 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one?
4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-2-one is sourced from PubChem (CID 34182694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).