1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine

C13H15F3N2 — CID 69040978

IUPAC1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine
SMILESC=CN1CCNCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2/c1-2-18-8-7-17-9-12(18)10-5-3-4-6-11(10)13(14,15)16/h2-6,12,17H,1,7-9H2
InChIKeyPVVXZWZATVQSQO-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.80
Rot. Bonds2

About 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine

1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 69040978) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID69040978
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine
SMILESC=CN1CCNCC1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2/c1-2-18-8-7-17-9-12(18)10-5-3-4-6-11(10)13(14,15)16/h2-6,12,17H,1,7-9H2
InChIKeyPVVXZWZATVQSQO-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(10bR)-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 11221167
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124571143
2-[2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
CID 115062579
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
3-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 105486245
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 120753156
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165437
3-methyl-6-(1-methylpiperazin-2-yl)-N-[1-[2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-2,4-dihydro-1H-pyrimidin-4-amine
CID 142126970

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine (CID 69040978) is 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine is C=CN1CCNCC1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is PVVXZWZATVQSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-2-18-8-7-17-9-12(18)10-5-3-4-6-11(10)13(14,15)16/h2-6,12,17H,1,7-9H2.
What are the key properties of 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine?
1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 256.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 69040978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).