1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

C10H17F3N2O — CID 146395138

IUPAC1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)14-4-5-15(8(3)16)9(6-14)10(11,12)13/h7,9H,4-6H2,1-3H3
InChIKeyGFKLLMQUZLYUIH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.49
Rot. Bonds1

About 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 146395138) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID146395138
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)14-4-5-15(8(3)16)9(6-14)10(11,12)13/h7,9H,4-6H2,1-3H3
InChIKeyGFKLLMQUZLYUIH-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
CID 170569304
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
CID 142388351
2,2-difluoro-N-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 167340101
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
1-propan-2-yl-2-(trifluoromethyl)aziridine
CID 166046410
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
(2R)-4-propan-2-yl-1-prop-2-enoylpiperazine-2-carbonitrile
CID 167020513

Frequently Asked Questions

What is the IUPAC name of 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (CID 146395138) is 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)C)CC1C(F)(F)F.
What is the InChIKey of 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is GFKLLMQUZLYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)14-4-5-15(8(3)16)9(6-14)10(11,12)13/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 238.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146395138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).