[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C12H19F3N2O2 — CID 130359368

IUPAC[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCO2)CC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-2-16-5-6-17(8-10(16)12(13,14)15)11(18)9-4-3-7-19-9/h9-10H,2-8H2,1H3
InChIKeyRCPQVBPAJDXMEL-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds2

About [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 130359368) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID130359368
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCCN1CCN(C(=O)C2CCCO2)CC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-2-16-5-6-17(8-10(16)12(13,14)15)11(18)9-4-3-7-19-9/h9-10H,2-8H2,1H3
InChIKeyRCPQVBPAJDXMEL-UHFFFAOYSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Tetrahydro-2-furyl)carbonyl]piperidine
CID 3458768
1-Methyl-4-(oxolane-2-carbonyl)piperazine
CID 4285118
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
CID 59965676
1,4-Bis((tetrahydrofuran-2-yl)carbonyl)piperazine
CID 3620044
2,6-Dimethylmorpholin-4-yl oxolan-2-yl ketone
CID 2947441
N,N-di-sec-butyltetrahydro-2-furancarboxamide
CID 3282442
{3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-1-azetanyl}(tetrahydro-2-furanyl)methanone
CID 110197186
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
CID 27233577
1,4-bis[(2R)-oxolane-2-carbonyl]piperazine-2-carbonitrile
CID 126841536
[4-Methyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 130359371
(2S)-N-ethyl-N-[(2S)-2-fluoropropyl]oxolane-2-carboxamide
CID 145214188
[(3S)-3-fluoropiperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 155015819

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 130359368) is [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CCN1CCN(C(=O)C2CCCO2)CC1C(F)(F)F.
What is the InChIKey of [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is RCPQVBPAJDXMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-16-5-6-17(8-10(16)12(13,14)15)11(18)9-4-3-7-19-9/h9-10H,2-8H2,1H3.
What are the key properties of [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 280.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(trifluoromethyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 130359368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).