1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride

C14H19ClF4N2 — CID 171168966

IUPAC1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
SMILESCc1cc(F)ccc1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C14H18F4N2.ClH/c1-10-8-11(15)2-3-12(10)13(9-14(16,17)18)20-6-4-19-5-7-20;/h2-3,8,13,19H,4-7,9H2,1H3;1H/t13-;/m1./s1
InChIKeyGLPHJZQHXZIRIY-BTQNPOSSSA-N
MW326.77 g/mol
LogP3.45
Rot. Bonds3

About 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride

1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride (PubChem CID 171168966) has the molecular formula C14H19ClF4N2 and a molecular weight of 326.77 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
PubChem CID171168966
Molecular FormulaC14H19ClF4N2
Molecular Weight326.77 g/mol
Exact Mass326.12
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
SMILESCc1cc(F)ccc1[C@@H](CC(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C14H18F4N2.ClH/c1-10-8-11(15)2-3-12(10)13(9-14(16,17)18)20-6-4-19-5-7-20;/h2-3,8,13,19H,4-7,9H2,1H3;1H/t13-;/m1./s1
InChIKeyGLPHJZQHXZIRIY-BTQNPOSSSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302360
1-[(1S)-1-(4-chloro-2-methylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303000
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171169211
4-fluoro-2-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171303318
1-[(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethyl]piperazine
CID 171178950
(3S)-3-(4-fluoro-2-methylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305920
1-[(1S)-1-(2-bromo-5-fluorophenyl)-3,3,3-trifluoropropyl]piperazine
CID 171163773
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171302665
1-[(1S)-1-(4-fluoro-2-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171275277
1-[(1S)-3,3,3-trifluoro-1-(4-fluoro-2-nitrophenyl)propyl]piperazine
CID 171302742
1-[(1R)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171169673

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride (CID 171168966) is 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride is Cc1cc(F)ccc1[C@@H](CC(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride?
The InChIKey is GLPHJZQHXZIRIY-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18F4N2.ClH/c1-10-8-11(15)2-3-12(10)13(9-14(16,17)18)20-6-4-19-5-7-20;/h2-3,8,13,19H,4-7,9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride?
1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride has a molecular weight of 326.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171168966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).