2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine

C15H21F3N2 — CID 64931762

IUPAC2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2ccccc2C(F)(F)F)C(C)CN1
InChIInChI=1S/C15H21F3N2/c1-3-6-12-10-20(11(2)9-19-12)14-8-5-4-7-13(14)15(16,17)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3
InChIKeyRWKNMSNUHYNQLH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.67
Rot. Bonds3

About 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine

2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 64931762) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID64931762
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine
SMILESCCCC1CN(c2ccccc2C(F)(F)F)C(C)CN1
InChIInChI=1S/C15H21F3N2/c1-3-6-12-10-20(11(2)9-19-12)14-8-5-4-7-13(14)15(16,17)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3
InChIKeyRWKNMSNUHYNQLH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-methyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 64951883
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
CID 64933320
5-butan-2-yl-1-(2-tert-butylphenyl)-2-methylpiperazine
CID 64936488
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64846379
2-ethyl-5-propyl-1-(2-propylphenyl)piperazine
CID 64946303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine (CID 64931762) is 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine is CCCC1CN(c2ccccc2C(F)(F)F)C(C)CN1.
What is the InChIKey of 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is RWKNMSNUHYNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-6-12-10-20(11(2)9-19-12)14-8-5-4-7-13(14)15(16,17)18/h4-5,7-8,11-12,19H,3,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine?
2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-1-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 64931762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).