1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine

C14H18F4N2 — CID 118088070

IUPAC1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3
InChIKeyXOKWHVAUTSKPFS-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.98
Rot. Bonds3

About 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine

1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 118088070) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID118088070
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
SMILESCCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3
InChIKeyXOKWHVAUTSKPFS-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-methyl-piperazine
CID 763557
3-Methylbenzylpiperazine
CID 79213
1-[(4-Fluorophenyl)methyl]-4-methylpiperazine
CID 765182
1-Methyl-4-(1-phenyl-ethyl)-piperazine
CID 14364677
1-(3-(Trifluoromethyl)benzyl)piperazine
CID 2060855
1-benzyl-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazine
CID 1376447
1-Benzyl-4-[(4-isopropenyl-1-cyclohexen-1-yl)methyl]piperazine
CID 2846021
1-[(2,4-Dimethylphenyl)methyl]-4-methylpiperazine
CID 791382
1-Ethyl-4-[(4-methylphenyl)methyl]piperazine
CID 1377053
N-propyl-3-(m-trifluoromethylphenyl)-piperidine
CID 3053803
1-[(3-Fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 7026448
Diethyl-[(S)-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-amine
CID 44404549

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine (CID 118088070) is 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine is CCN1CCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is XOKWHVAUTSKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine?
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 290.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 118088070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).