1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine

C15H18F6N2 — CID 171162914

IUPAC1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
SMILESFC(F)(F)CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H18F6N2/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)15(19,20)21/h1-4,13,22H,5-10H2/t13-/m0/s1
InChIKeyPWLLYJCEQVMQMX-ZDUSSCGKSA-N
MW340.31 g/mol
LogP3.99
Rot. Bonds4

About 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine

1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine (PubChem CID 171162914) has the molecular formula C15H18F6N2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
PubChem CID171162914
Molecular FormulaC15H18F6N2
Molecular Weight340.31 g/mol
Exact Mass340.14
IUPAC Name1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
SMILESFC(F)(F)CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C15H18F6N2/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)15(19,20)21/h1-4,13,22H,5-10H2/t13-/m0/s1
InChIKeyPWLLYJCEQVMQMX-ZDUSSCGKSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
CID 171170580
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The IUPAC name of 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine (CID 171162914) is 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine is FC(F)(F)CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The InChIKey is PWLLYJCEQVMQMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18F6N2/c16-14(17,18)6-5-13(23-9-7-22-8-10-23)11-1-3-12(4-2-11)15(19,20)21/h1-4,13,22H,5-10H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine has a molecular weight of 340.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine is sourced from PubChem (CID 171162914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).