1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride

C16H24ClF3N2S — CID 171173138

IUPAC1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
SMILESCCSc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23F3N2S.ClH/c1-2-22-14-5-3-13(4-6-14)15(7-8-16(17,18)19)21-11-9-20-10-12-21;/h3-6,15,20H,2,7-12H2,1H3;1H/t15-;/m1./s1
InChIKeyYRLNFLFZGPRGBH-XFULWGLBSA-N
MW368.90 g/mol
LogP4.51
Rot. Bonds6

About 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride

1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride (PubChem CID 171173138) has the molecular formula C16H24ClF3N2S and a molecular weight of 368.90 g/mol. Its IUPAC name is 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
PubChem CID171173138
Molecular FormulaC16H24ClF3N2S
Molecular Weight368.90 g/mol
Exact Mass368.13
IUPAC Name1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
SMILESCCSc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23F3N2S.ClH/c1-2-22-14-5-3-13(4-6-14)15(7-8-16(17,18)19)21-11-9-20-10-12-21;/h3-6,15,20H,2,7-12H2,1H3;1H/t15-;/m1./s1
InChIKeyYRLNFLFZGPRGBH-XFULWGLBSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.90
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-ethylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189770
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butyl]piperazine
CID 171170580
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-4,4,4-trifluoro-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171162914
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
(3S)-3-(4-ethylsulfanylphenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178104
1-[(1R)-4,4,4-trifluoro-1-naphthalen-2-ylbutyl]piperazine;hydrochloride
CID 171168796
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
2-fluoro-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162839

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride (CID 171173138) is 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride is CCSc1ccc([C@@H](CCC(F)(F)F)N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
The InChIKey is YRLNFLFZGPRGBH-XFULWGLBSA-N. The full InChI is InChI=1S/C16H23F3N2S.ClH/c1-2-22-14-5-3-13(4-6-14)15(7-8-16(17,18)19)21-11-9-20-10-12-21;/h3-6,15,20H,2,7-12H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride?
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride has a molecular weight of 368.90 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride is sourced from PubChem (CID 171173138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).