1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C19H28ClF3N2O2 — CID 171171221

IUPAC1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](C1CCCCC1)N1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-25-17-8-7-15(26-19(20,21)22)13-16(17)18(14-5-3-2-4-6-14)24-11-9-23-10-12-24;/h7-8,13-14,18,23H,2-6,9-12H2,1H3;1H/t18-;/m1./s1
InChIKeyLLOFQCHGRFMXJG-GMUIIQOCSA-N
MW408.89 g/mol
LogP4.54
Rot. Bonds5

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

1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171171221) has the molecular formula C19H28ClF3N2O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171171221
Molecular FormulaC19H28ClF3N2O2
Molecular Weight408.89 g/mol
Exact Mass408.18
IUPAC Name1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@@H](C1CCCCC1)N1CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-25-17-8-7-15(26-19(20,21)22)13-16(17)18(14-5-3-2-4-6-14)24-11-9-23-10-12-24;/h7-8,13-14,18,23H,2-6,9-12H2,1H3;1H/t18-;/m1./s1
InChIKeyLLOFQCHGRFMXJG-GMUIIQOCSA-N
XLogP4.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
1-[(S)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171284101
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
1-[(S)-[2-methoxy-4-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171284354
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropyl]piperazine;hydrochloride
CID 171171225
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171171221) is 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is COc1ccc(OC(F)(F)F)cc1[C@@H](C1CCCCC1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is LLOFQCHGRFMXJG-GMUIIQOCSA-N. The full InChI is InChI=1S/C19H27F3N2O2.ClH/c1-25-17-8-7-15(26-19(20,21)22)13-16(17)18(14-5-3-2-4-6-14)24-11-9-23-10-12-24;/h7-8,13-14,18,23H,2-6,9-12H2,1H3;1H/t18-;/m1./s1.
What are the key properties of 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171171221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).