1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine

C14H19F3N2 — CID 59060023

IUPAC1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCN1CCNC(CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-19-9-8-18-13(10-19)7-4-11-2-5-12(6-3-11)14(15,16)17/h2-3,5-6,13,18H,4,7-10H2,1H3
InChIKeyIYXLVYQTMMIXFO-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.54
Rot. Bonds3

About 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine

1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 59060023) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID59060023
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESCN1CCNC(CCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2/c1-19-9-8-18-13(10-19)7-4-11-2-5-12(6-3-11)14(15,16)17/h2-3,5-6,13,18H,4,7-10H2,1H3
InChIKeyIYXLVYQTMMIXFO-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 64872070
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
ethane;3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 177060331
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
1,3-dichloro-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 66734283
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine (CID 59060023) is 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine is CN1CCNC(CCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is IYXLVYQTMMIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19-9-8-18-13(10-19)7-4-11-2-5-12(6-3-11)14(15,16)17/h2-3,5-6,13,18H,4,7-10H2,1H3.
What are the key properties of 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine?
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 59060023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).