1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine

C15H20ClF3N2 — CID 171172615

IUPAC1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine
SMILESCc1cc(Cl)ccc1[C@@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H20ClF3N2/c1-11-10-12(16)2-3-13(11)14(4-5-15(17,18)19)21-8-6-20-7-9-21/h2-3,10,14,20H,4-9H2,1H3/t14-/m1/s1
InChIKeyQXAQIFOZHUWJQQ-CQSZACIVSA-N
MW320.79 g/mol
LogP3.94
Rot. Bonds4

About 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine

1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine (PubChem CID 171172615) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine
PubChem CID171172615
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine
SMILESCc1cc(Cl)ccc1[C@@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C15H20ClF3N2/c1-11-10-12(16)2-3-13(11)14(4-5-15(17,18)19)21-8-6-20-7-9-21/h2-3,10,14,20H,4-9H2,1H3/t14-/m1/s1
InChIKeyQXAQIFOZHUWJQQ-CQSZACIVSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-chloro-2-methylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303000
1-[(1S)-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302569
1-[(1R)-1-(2-bromo-4-chlorophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171169392
1-[(1S)-1-(4-chloro-2-methylphenyl)-3-methylbutyl]piperazine
CID 171281403
1-[(1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171177581
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171171999
1-[(1R)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180965
1-[(1R)-1-(4-chloro-2-methylphenyl)but-3-enyl]piperazine
CID 171294005
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171166434
1-[(1S)-1-(2,4-dichlorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303036
1-[(1R)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171169673
1-[(1R)-1-(2,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173102

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine (CID 171172615) is 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine is Cc1cc(Cl)ccc1[C@@H](CCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine?
The InChIKey is QXAQIFOZHUWJQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-11-10-12(16)2-3-13(11)14(4-5-15(17,18)19)21-8-6-20-7-9-21/h2-3,10,14,20H,4-9H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine?
1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine has a molecular weight of 320.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chloro-2-methylphenyl)-4,4,4-trifluorobutyl]piperazine is sourced from PubChem (CID 171172615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).