1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone

C15H21FN2O2 — CID 23405838

IUPAC1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CO
InChIInChI=1S/C15H21FN2O2/c1-11-8-18(15(20)10-19)12(2)7-17(11)9-13-3-5-14(16)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKJJCYXGNEHUYTK-NWDGAFQWSA-N
MW280.34 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone

1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone (PubChem CID 23405838) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
PubChem CID23405838
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CO
InChIInChI=1S/C15H21FN2O2/c1-11-8-18(15(20)10-19)12(2)7-17(11)9-13-3-5-14(16)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKJJCYXGNEHUYTK-NWDGAFQWSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
1-{4-[(4-Fluorophenyl)methyl]piperazin-1-yl}propan-1-one
CID 19323503
Ethyl 4-(2-fluorobenzyl)-1-piperazinecarboxylate
CID 782970
Ethyl 4-(2,4-difluorobenzyl)-1-piperazinecarboxylate oxalate
CID 2846018
(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404540
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-acetamide
CID 44404544
N-[1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 4884814
4-((2-Fluorophenyl)methyl)-1-piperazineethanol
CID 2795688
1-Acetyl-4-benzylpiperazine
CID 756919
6-Hydroxy-1-(2-phenylethyl)-4-(phenylmethyl)-2-piperazinone
CID 21599360

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone (CID 23405838) is 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone is C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)CO.
What is the InChIKey of 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
The InChIKey is KJJCYXGNEHUYTK-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-8-18(15(20)10-19)12(2)7-17(11)9-13-3-5-14(16)6-4-13/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone?
1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone has a molecular weight of 280.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 23405838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).