1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

C18H26ClF3N2O — CID 171166606

IUPAC1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25F3N2O.ClH/c19-18(20,21)24-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23;/h4-5,8-9,14,17,22H,1-3,6-7,10-13H2;1H/t17-;/m0./s1
InChIKeyYGXUAAJPZCWQRQ-LMOVPXPDSA-N
MW378.87 g/mol
LogP4.53
Rot. Bonds4

About 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride

1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171166606) has the molecular formula C18H26ClF3N2O and a molecular weight of 378.87 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
PubChem CID171166606
Molecular FormulaC18H26ClF3N2O
Molecular Weight378.87 g/mol
Exact Mass378.17
IUPAC Name1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25F3N2O.ClH/c19-18(20,21)24-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23;/h4-5,8-9,14,17,22H,1-3,6-7,10-13H2;1H/t17-;/m0./s1
InChIKeyYGXUAAJPZCWQRQ-LMOVPXPDSA-N
XLogP4.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176
1-[(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176847
1-[(S)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279602
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(S)-cyclopropyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279601
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(R)-cyclohexyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171171221
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-(trifluoromethoxy)phenol;dihydrochloride
CID 171301809
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
CID 171172586
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride (CID 171166606) is 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccccc1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is YGXUAAJPZCWQRQ-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H25F3N2O.ClH/c19-18(20,21)24-16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23;/h4-5,8-9,14,17,22H,1-3,6-7,10-13H2;1H/t17-;/m0./s1.
What are the key properties of 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride?
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 378.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171166606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).