1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride

C18H26ClF3N2S — CID 171172586

IUPAC1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Sc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25F3N2S.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-;/m1./s1
InChIKeyWUTKUHUOUXERNW-UNTBIKODSA-N
MW394.93 g/mol
LogP5.25
Rot. Bonds4

About 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride

1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride (PubChem CID 171172586) has the molecular formula C18H26ClF3N2S and a molecular weight of 394.93 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
PubChem CID171172586
Molecular FormulaC18H26ClF3N2S
Molecular Weight394.93 g/mol
Exact Mass394.15
IUPAC Name1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Sc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25F3N2S.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-;/m1./s1
InChIKeyWUTKUHUOUXERNW-UNTBIKODSA-N
XLogP5.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(2-tert-butylsulfanylphenyl)-cyclohexylmethyl]piperazine
CID 171295895
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606
1-[(R)-(2-tert-butylsulfanylphenyl)-cyclopropylmethyl]piperazine
CID 171295889
1-[(R)-cyclohexyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine
CID 171171176
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171165271
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
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)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride (CID 171172586) is 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)Sc1ccccc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride?
The InChIKey is WUTKUHUOUXERNW-UNTBIKODSA-N. The full InChI is InChI=1S/C18H25F3N2S.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-;/m1./s1.
What are the key properties of 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride?
1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride has a molecular weight of 394.93 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 171172586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).