1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride

C20H24ClF3N2 — CID 171167100

IUPAC1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1.Cl
InChIInChI=1S/C20H23F3N2.ClH/c1-2-19(25-13-11-24-12-14-25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20(21,22)23;/h3-10,19,24H,2,11-14H2,1H3;1H/t19-;/m0./s1
InChIKeySDCWKIXWXNYZIC-FYZYNONXSA-N
MW384.87 g/mol
LogP5.15
Rot. Bonds4

About 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride

1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride (PubChem CID 171167100) has the molecular formula C20H24ClF3N2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
PubChem CID171167100
Molecular FormulaC20H24ClF3N2
Molecular Weight384.87 g/mol
Exact Mass384.16
IUPAC Name1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1.Cl
InChIInChI=1S/C20H23F3N2.ClH/c1-2-19(25-13-11-24-12-14-25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20(21,22)23;/h3-10,19,24H,2,11-14H2,1H3;1H/t19-;/m0./s1
InChIKeySDCWKIXWXNYZIC-FYZYNONXSA-N
XLogP5.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]but-3-enyl]piperazine;hydrochloride
CID 171167114
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
(3S)-3-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 171174156
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride (CID 171167100) is 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride is CC[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride?
The InChIKey is SDCWKIXWXNYZIC-FYZYNONXSA-N. The full InChI is InChI=1S/C20H23F3N2.ClH/c1-2-19(25-13-11-24-12-14-25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)20(21,22)23;/h3-10,19,24H,2,11-14H2,1H3;1H/t19-;/m0./s1.
What are the key properties of 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride?
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171167100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).