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

C15H22ClF3N2O — CID 171167300

IUPAC1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-11-9-12(21-2)3-4-13(11)14(10-15(16,17)18)20-7-5-19-6-8-20;/h3-4,9,14,19H,5-8,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyMAGQRIPVQKFBES-UQKRIMTDSA-N
MW338.80 g/mol
LogP3.32
Rot. Bonds4

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

1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride (PubChem CID 171167300) has the molecular formula C15H22ClF3N2O and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
PubChem CID171167300
Molecular FormulaC15H22ClF3N2O
Molecular Weight338.80 g/mol
Exact Mass338.14
IUPAC Name1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-11-9-12(21-2)3-4-13(11)14(10-15(16,17)18)20-7-5-19-6-8-20;/h3-4,9,14,19H,5-8,10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyMAGQRIPVQKFBES-UQKRIMTDSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(1R)-3,3,3-trifluoro-1-(4-fluoro-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171168966
1-[(1S)-1-(4-chloro-2-methylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303000
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1S)-3,3,3-trifluoro-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171168021
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
1-[(1R)-1-(2,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303391
1-[(1S)-4,4,4-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171165681
1-[(1S)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propyl]piperazine
CID 171163041

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride (CID 171167300) is 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride is COc1ccc([C@H](CC(F)(F)F)N2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride?
The InChIKey is MAGQRIPVQKFBES-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H21F3N2O.ClH/c1-11-9-12(21-2)3-4-13(11)14(10-15(16,17)18)20-7-5-19-6-8-20;/h3-4,9,14,19H,5-8,10H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride?
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride is sourced from PubChem (CID 171167300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).