1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C15H19ClF6N2O — CID 171171043

IUPAC1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F6N2O.ClH/c1-24-10-2-3-11(12(8-10)15(19,20)21)13(9-14(16,17)18)23-6-4-22-5-7-23;/h2-3,8,13,22H,4-7,9H2,1H3;1H/t13-;/m1./s1
InChIKeyXZRNKKTVOKRVBU-BTQNPOSSSA-N
MW392.77 g/mol
LogP4.03
Rot. Bonds4

About 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171171043) has the molecular formula C15H19ClF6N2O and a molecular weight of 392.77 g/mol. Its IUPAC name is 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
PubChem CID171171043
Molecular FormulaC15H19ClF6N2O
Molecular Weight392.77 g/mol
Exact Mass392.11
IUPAC Name1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCOc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H18F6N2O.ClH/c1-24-10-2-3-11(12(8-10)15(19,20)21)13(9-14(16,17)18)23-6-4-22-5-7-23;/h2-3,8,13,22H,4-7,9H2,1H3;1H/t13-;/m1./s1
InChIKeyXZRNKKTVOKRVBU-BTQNPOSSSA-N
XLogP4.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-[(1S)-4,4,4-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171165681
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
(3R)-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306916
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171279467
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171171020
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171166750
1-[(1R)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171180130
1-[(1S)-2,2,2-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171176764
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302824
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292085

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171171043) is 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is COc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is XZRNKKTVOKRVBU-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H18F6N2O.ClH/c1-24-10-2-3-11(12(8-10)15(19,20)21)13(9-14(16,17)18)23-6-4-22-5-7-23;/h2-3,8,13,22H,4-7,9H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 392.77 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171171043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).