1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine

C14H19F3N2 — CID 171178089

IUPAC1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
SMILESCc1ccc(C)c([C@H](N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-10-3-4-11(2)12(9-10)13(14(15,16)17)19-7-5-18-6-8-19/h3-4,9,13,18H,5-8H2,1-2H3/t13-/m0/s1
InChIKeyWGZMNNWRIKDOBK-ZDUSSCGKSA-N
MW272.31 g/mol
LogP2.81
Rot. Bonds2

About 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine

1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171178089) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171178089
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine
SMILESCc1ccc(C)c([C@H](N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-10-3-4-11(2)12(9-10)13(14(15,16)17)19-7-5-18-6-8-19/h3-4,9,13,18H,5-8H2,1-2H3/t13-/m0/s1
InChIKeyWGZMNNWRIKDOBK-ZDUSSCGKSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2,5-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171181466
(3S)-3-(2,5-dimethylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol
CID 171178091
1-[(1R)-1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179200
1-[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280306
1-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethyl]piperazine
CID 171178950
1-[(1R)-1-(2,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173102
1-[(1R)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180965
1-[(1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171177581
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294
1-[(1R)-1-(3-bromo-4-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179212
1-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171277142
(3S)-2,2-difluoro-3-(2-fluoro-4-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171175601

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine (CID 171178089) is 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine is Cc1ccc(C)c([C@H](N2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is WGZMNNWRIKDOBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-3-4-11(2)12(9-10)13(14(15,16)17)19-7-5-18-6-8-19/h3-4,9,13,18H,5-8H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 272.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethylphenyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171178089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).