1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride

C17H27Cl2F3N2O — CID 171292085

IUPAC1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](N2CCNCC2)C(C)(C)C)c(C(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C17H25F3N2O.2ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-6-5-12(23-4)11-14(13)17(18,19)20;;/h5-6,11,15,21H,7-10H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyUEAGXFIOBUNTMO-CKUXDGONSA-N
MW403.32 g/mol
LogP4.55
Rot. Bonds3

About 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride

1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride (PubChem CID 171292085) has the molecular formula C17H27Cl2F3N2O and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
PubChem CID171292085
Molecular FormulaC17H27Cl2F3N2O
Molecular Weight403.32 g/mol
Exact Mass402.15
IUPAC Name1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](N2CCNCC2)C(C)(C)C)c(C(F)(F)F)c1.Cl.Cl
InChIInChI=1S/C17H25F3N2O.2ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-6-5-12(23-4)11-14(13)17(18,19)20;;/h5-6,11,15,21H,7-10H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyUEAGXFIOBUNTMO-CKUXDGONSA-N
XLogP4.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(3S)-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176771
1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171459
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1R)-3,3,3-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171043
1-[(1S)-4,4,4-trifluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperazine
CID 171165681
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(R)-cyclobutyl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292074
(3R)-3-[4-methoxy-2-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306916
1-[(S)-furan-2-yl-[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176785

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride (CID 171292085) is 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride is COc1ccc([C@H](N2CCNCC2)C(C)(C)C)c(C(F)(F)F)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride?
The InChIKey is UEAGXFIOBUNTMO-CKUXDGONSA-N. The full InChI is InChI=1S/C17H25F3N2O.2ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-6-5-12(23-4)11-14(13)17(18,19)20;;/h5-6,11,15,21H,7-10H2,1-4H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride?
1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride has a molecular weight of 403.32 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).