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

C13H17F3N2 — CID 66477775

IUPAC3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C(F)(F)F)cc1N1CCNC(C)C1
InChIInChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyQADHYTUDUNNXTH-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.81
Rot. Bonds1

About 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine

3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 66477775) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
PubChem CID66477775
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C(F)(F)F)cc1N1CCNC(C)C1
InChIInChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3
InChIKeyQADHYTUDUNNXTH-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane
CID 64943950
(3R)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 7225561
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
(3R)-1-[5-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 107287003
1-tert-butyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 130454920
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine
CID 116700925
3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 59995568
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
1,1,1,3,3,3-hexafluoro-2-[4-[(3R)-3-methylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670311
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine (CID 66477775) is 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine is Cc1ccc(C(F)(F)F)cc1N1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QADHYTUDUNNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-9-3-4-11(13(14,15)16)7-12(9)18-6-5-17-10(2)8-18/h3-4,7,10,17H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine?
3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 258.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 66477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).