1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine

C22H27F3N2 — CID 171172366

IUPAC1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
SMILESCC(C)C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C22H27F3N2/c1-16(2)15-21(27-13-11-26-12-14-27)19-5-3-17(4-6-19)18-7-9-20(10-8-18)22(23,24)25/h3-10,16,21,26H,11-15H2,1-2H3/t21-/m1/s1
InChIKeyZPSMDJDLEYVWIJ-OAQYLSRUSA-N
MW376.47 g/mol
LogP5.36
Rot. Bonds5

About 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine

1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine (PubChem CID 171172366) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
PubChem CID171172366
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
SMILESCC(C)C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C22H27F3N2/c1-16(2)15-21(27-13-11-26-12-14-27)19-5-3-17(4-6-19)18-7-9-20(10-8-18)22(23,24)25/h3-10,16,21,26H,11-15H2,1-2H3/t21-/m1/s1
InChIKeyZPSMDJDLEYVWIJ-OAQYLSRUSA-N
XLogP5.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1S)-1-(4-tert-butylphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171275303
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
CID 171170906
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892
1-[1-(4-bromophenyl)-3-methylbutyl]piperazine
CID 82308912
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171166855

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine?
The IUPAC name of 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine (CID 171172366) is 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine is CC(C)C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine?
The InChIKey is ZPSMDJDLEYVWIJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27F3N2/c1-16(2)15-21(27-13-11-26-12-14-27)19-5-3-17(4-6-19)18-7-9-20(10-8-18)22(23,24)25/h3-10,16,21,26H,11-15H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine?
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine has a molecular weight of 376.47 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine is sourced from PubChem (CID 171172366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).