1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine

C15H21F3N2 — CID 171169153

IUPAC1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1C
InChIInChI=1S/C15H21F3N2/c1-11-4-3-5-13(12(11)2)14(10-15(16,17)18)20-8-6-19-7-9-20/h3-5,14,19H,6-10H2,1-2H3/t14-/m1/s1
InChIKeyZNWXXEFAMGLMIW-CQSZACIVSA-N
MW286.34 g/mol
LogP3.20
Rot. Bonds3

About 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine

1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine (PubChem CID 171169153) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
PubChem CID171169153
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine
SMILESCc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1C
InChIInChI=1S/C15H21F3N2/c1-11-4-3-5-13(12(11)2)14(10-15(16,17)18)20-8-6-19-7-9-20/h3-5,14,19H,6-10H2,1-2H3/t14-/m1/s1
InChIKeyZNWXXEFAMGLMIW-CQSZACIVSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,3-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164319
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800
1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1R)-1-(2,3-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303614
1-[(1R)-1-(2,3-dimethylphenyl)pentyl]piperazine
CID 171307626
1-[(1S)-1-(2,3-dimethylphenyl)but-3-enyl]piperazine
CID 171275803
1-[(1R)-1-(2,3-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171288458
1-[(1S)-1-(2-bromophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171162720
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171302352
2-fluoro-6-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171162790
1-[(1S)-3,3,3-trifluoro-1-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171167064
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine (CID 171169153) is 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine is Cc1cccc([C@@H](CC(F)(F)F)N2CCNCC2)c1C.
What is the InChIKey of 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine?
The InChIKey is ZNWXXEFAMGLMIW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11-4-3-5-13(12(11)2)14(10-15(16,17)18)20-8-6-19-7-9-20/h3-5,14,19H,6-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine?
1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dimethylphenyl)-3,3,3-trifluoropropyl]piperazine is sourced from PubChem (CID 171169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).