4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one

C12H15FN2O2 — CID 78939331

IUPAC4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
SMILESC[C@H](O)c1cc(F)ccc1N1CCNC(=O)C1
InChIInChI=1S/C12H15FN2O2/c1-8(16)10-6-9(13)2-3-11(10)15-5-4-14-12(17)7-15/h2-3,6,8,16H,4-5,7H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyDXIZJBCZWBCAKR-QMMMGPOBSA-N
MW238.26 g/mol
LogP0.82
Rot. Bonds2

About 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one

4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one (PubChem CID 78939331) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
PubChem CID78939331
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
SMILESC[C@H](O)c1cc(F)ccc1N1CCNC(=O)C1
InChIInChI=1S/C12H15FN2O2/c1-8(16)10-6-9(13)2-3-11(10)15-5-4-14-12(17)7-15/h2-3,6,8,16H,4-5,7H2,1H3,(H,14,17)/t8-/m0/s1
InChIKeyDXIZJBCZWBCAKR-QMMMGPOBSA-N
XLogP0.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946531
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 78946537
1-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-5-one
CID 63002709
4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81097570
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865
(1S)-1-[5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanol
CID 78938471
4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
CID 63059984
4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-1,4-diazepan-2-one
CID 65366585
4-(4-chloro-2-fluorophenyl)piperazin-2-one
CID 156503488
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one?
The IUPAC name of 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one (CID 78939331) is 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one.
What is the SMILES notation for 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one?
The canonical SMILES for 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one is C[C@H](O)c1cc(F)ccc1N1CCNC(=O)C1.
What is the InChIKey of 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one?
The InChIKey is DXIZJBCZWBCAKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(16)10-6-9(13)2-3-11(10)15-5-4-14-12(17)7-15/h2-3,6,8,16H,4-5,7H2,1H3,(H,14,17)/t8-/m0/s1.
What are the key properties of 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one?
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one is sourced from PubChem (CID 78939331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).