1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine

C18H19F3N2 — CID 67615516

IUPAC1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine
SMILESCN1CCNC(c2ccccc2)C1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H19F3N2/c1-23-13-12-22-16(14-8-4-2-5-9-14)17(23,18(19,20)21)15-10-6-3-7-11-15/h2-11,16,22H,12-13H2,1H3
InChIKeyVDPMMLAVPPAMAX-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.72
Rot. Bonds2

About 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine

1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine (PubChem CID 67615516) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine
PubChem CID67615516
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine
SMILESCN1CCNC(c2ccccc2)C1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H19F3N2/c1-23-13-12-22-16(14-8-4-2-5-9-14)17(23,18(19,20)21)15-10-6-3-7-11-15/h2-11,16,22H,12-13H2,1H3
InChIKeyVDPMMLAVPPAMAX-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2,3-diphenylpyrrolidine
CID 62722920
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
CID 121014362
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964
1,2,2,3-tetraphenyl-1,4,7-triazonane
CID 66730191
3,3-difluoro-2-phenylpyrrolidine;hydrochloride
CID 84724544
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 132521429
3,3-diethyl-2-phenylpyrrolidine
CID 62721295
(2S,3R)-1-methyl-2,3-diphenylpiperazine
CID 141484879
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
3-(4-aminophenyl)-1,2-dimethylpiperazine-2-carbaldehyde
CID 174604206
1-methyl-2-phenylimidazolidine-2-carboxylic acid
CID 69477176
(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one
CID 138970792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine (CID 67615516) is 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine is CN1CCNC(c2ccccc2)C1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine?
The InChIKey is VDPMMLAVPPAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-23-13-12-22-16(14-8-4-2-5-9-14)17(23,18(19,20)21)15-10-6-3-7-11-15/h2-11,16,22H,12-13H2,1H3.
What are the key properties of 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine?
1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine has a molecular weight of 320.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 67615516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).