1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine

C13H15F3N2 — CID 91053638

IUPAC1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine
SMILESFc1cc(F)c(C=CCN2CCNCC2)c(F)c1
InChIInChI=1S/C13H15F3N2/c14-10-8-12(15)11(13(16)9-10)2-1-5-18-6-3-17-4-7-18/h1-2,8-9,17H,3-7H2
InChIKeyOLWLHBDIBASECL-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.02
Rot. Bonds3

About 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine

1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine (PubChem CID 91053638) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine
PubChem CID91053638
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine
SMILESFc1cc(F)c(C=CCN2CCNCC2)c(F)c1
InChIInChI=1S/C13H15F3N2/c14-10-8-12(15)11(13(16)9-10)2-1-5-18-6-3-17-4-7-18/h1-2,8-9,17H,3-7H2
InChIKeyOLWLHBDIBASECL-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 197747
1-(4-Fluorobenzyl)piperazine
CID 796563
1-(3-Phenylpropyl)piperazine
CID 796534
1-(3-Fluorobenzyl)piperazine
CID 903813
1-Cinnamylpiperazine
CID 726896
1-Phenethylpiperazine
CID 79214
1-[4-(Trifluoromethyl)benzyl]piperazine
CID 2782803
1-Methyl-4-(2-methyl-3-phenyl-2-propen-1-yl)piperazine
CID 2058153
1-[2-(Trifluoromethyl)phenethyl]piperazine
CID 3023325
1-(3-(Trifluoromethyl)benzyl)piperazine
CID 2060855
2-[4-(3-Phenyl-propyl)-piperazin-1-yl]-ethylamine
CID 401846

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine (CID 91053638) is 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine is Fc1cc(F)c(C=CCN2CCNCC2)c(F)c1.
What is the InChIKey of 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine?
The InChIKey is OLWLHBDIBASECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-10-8-12(15)11(13(16)9-10)2-1-5-18-6-3-17-4-7-18/h1-2,8-9,17H,3-7H2.
What are the key properties of 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine?
1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine has a molecular weight of 256.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trifluorophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 91053638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).