4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one

C13H17FN2O2 — CID 63606645

IUPAC4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)11-5-3-4-10(14)12(11)9(2)17/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18)/t8?,9-/m1/s1
InChIKeyVXMBLYMZELXVCA-YGPZHTELSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds2

About 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one (PubChem CID 63606645) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
PubChem CID63606645
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)11-5-3-4-10(14)12(11)9(2)17/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18)/t8?,9-/m1/s1
InChIKeyVXMBLYMZELXVCA-YGPZHTELSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one 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

4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 55216699
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 114059174
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 78946537
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1,4-diazepan-5-one
CID 55133341
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941119
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 60974750
(1R)-1-[2-(2,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 114087415
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 55216894
(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 104874566
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 55184859
3-fluoro-4-(2-methyl-3-oxopiperazin-1-yl)benzenecarbothioamide
CID 63605922

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one (CID 63606645) is 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one?
The InChIKey is VXMBLYMZELXVCA-YGPZHTELSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)11-5-3-4-10(14)12(11)9(2)17/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18)/t8?,9-/m1/s1.
What are the key properties of 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one?
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63606645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).