1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride

C17H26ClF3N2O2 — CID 171171225

IUPAC1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](N1CCNCC1)C(C)(C)C.Cl
InChIInChI=1S/C17H25F3N2O2.ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-11-12(24-17(18,19)20)5-6-14(13)23-4;/h5-6,11,15,21H,7-10H2,1-4H3;1H/t15-;/m0./s1
InChIKeyGSRDLJYHOUYFGV-RSAXXLAASA-N
MW382.85 g/mol
LogP4.01
Rot. Bonds4

About 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride

1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride (PubChem CID 171171225) has the molecular formula C17H26ClF3N2O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
PubChem CID171171225
Molecular FormulaC17H26ClF3N2O2
Molecular Weight382.85 g/mol
Exact Mass382.16
IUPAC Name1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H](N1CCNCC1)C(C)(C)C.Cl
InChIInChI=1S/C17H25F3N2O2.ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-11-12(24-17(18,19)20)5-6-14(13)23-4;/h5-6,11,15,21H,7-10H2,1-4H3;1H/t15-;/m0./s1
InChIKeyGSRDLJYHOUYFGV-RSAXXLAASA-N
XLogP4.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine
CID 171168030
(3R)-2,2-difluoro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171180267
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-[(1R)-3-fluoro-1-[2-methoxy-5-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171171231
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171327
(3R)-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306932
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305433
(3S)-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174639
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171304667
(4R)-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173831
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
1-[(1S)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273581

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride (CID 171171225) is 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride is COc1ccc(OC(F)(F)F)cc1[C@H](N1CCNCC1)C(C)(C)C.Cl.
What is the InChIKey of 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
The InChIKey is GSRDLJYHOUYFGV-RSAXXLAASA-N. The full InChI is InChI=1S/C17H25F3N2O2.ClH/c1-16(2,3)15(22-9-7-21-8-10-22)13-11-12(24-17(18,19)20)5-6-14(13)23-4;/h5-6,11,15,21H,7-10H2,1-4H3;1H/t15-;/m0./s1.
What are the key properties of 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride?
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride has a molecular weight of 382.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride is sourced from PubChem (CID 171171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).