2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone

C9H15F3N2O2 — CID 59815617

IUPAC2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCNCC1CCCO)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-4-3-13-6-7(14)2-1-5-15/h7,13,15H,1-6H2
InChIKeyKACKBDSLNVARJX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 59815617) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID59815617
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone
SMILESO=C(N1CCNCC1CCCO)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-4-3-13-6-7(14)2-1-5-15/h7,13,15H,1-6H2
InChIKeyKACKBDSLNVARJX-UHFFFAOYSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromoacetyl)piperazin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 155289806
2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 68606927
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
CID 22629585
3-[1-(4-fluorophenyl)piperazin-2-yl]propan-1-ol
CID 67722898
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
2-(hydroxymethyl)piperazine-1-carboxamide
CID 175982295
2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82250186
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175159453
1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 162620815
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone (CID 59815617) is 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone is O=C(N1CCNCC1CCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is KACKBDSLNVARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)14-4-3-13-6-7(14)2-1-5-15/h7,13,15H,1-6H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 240.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(3-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 59815617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).