1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine

C15H21F3N2 — CID 64932305

IUPAC1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CCNCC2C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10(2)14-9-19-6-7-20(14)12-5-4-11(3)13(8-12)15(16,17)18/h4-5,8,10,14,19H,6-7,9H2,1-3H3
InChIKeyQHCRUKUBWPKWNY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.45
Rot. Bonds2

About 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine

1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine (PubChem CID 64932305) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
PubChem CID64932305
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CCNCC2C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10(2)14-9-19-6-7-20(14)12-5-4-11(3)13(8-12)15(16,17)18/h4-5,8,10,14,19H,6-7,9H2,1-3H3
InChIKeyQHCRUKUBWPKWNY-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
LY-165163
CID 121930
1-(Naphthalen-2-yl)piperazine
CID 2760172
TFMPP hydrochloride
CID 3084246
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
1-(2,3-Xylyl)piperazine
CID 70541
2-Mepp
CID 91965
1-(3,4-Xylyl)piperazine
CID 2723782
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
N1-Methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 715666

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine (CID 64932305) is 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine is Cc1ccc(N2CCNCC2C(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The InChIKey is QHCRUKUBWPKWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10(2)14-9-19-6-7-20(14)12-5-4-11(3)13(8-12)15(16,17)18/h4-5,8,10,14,19H,6-7,9H2,1-3H3.
What are the key properties of 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine has a molecular weight of 286.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64932305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).