1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride

C16H28Cl2N2S — CID 171308234

IUPAC1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1ccc(SC)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2S.2ClH/c1-3-4-5-16(18-12-10-17-11-13-18)14-6-8-15(19-2)9-7-14;;/h6-9,16-17H,3-5,10-13H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyPHYWDZMXKCQFOA-GGMCWBHBSA-N
MW351.39 g/mol
LogP4.39
Rot. Bonds6

About 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride

1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride (PubChem CID 171308234) has the molecular formula C16H28Cl2N2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride
PubChem CID171308234
Molecular FormulaC16H28Cl2N2S
Molecular Weight351.39 g/mol
Exact Mass350.14
IUPAC Name1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1ccc(SC)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H26N2S.2ClH/c1-3-4-5-16(18-12-10-17-11-13-18)14-6-8-15(19-2)9-7-14;;/h6-9,16-17H,3-5,10-13H2,1-2H3;2*1H/t16-;;/m1../s1
InChIKeyPHYWDZMXKCQFOA-GGMCWBHBSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(4-methylsulfanylphenyl)hexyl]piperazine
CID 171309533
(3R)-3-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 96846750
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587
1-[(1R)-1-(4-pyrrolidin-1-ylphenyl)pentyl]piperazine
CID 171308505
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171169221
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863
1-[(1R)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171307566
1-[(1R)-1-naphthalen-2-ylpentyl]piperazine;dihydrochloride
CID 171307529
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride (CID 171308234) is 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride is CCCC[C@H](c1ccc(SC)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
The InChIKey is PHYWDZMXKCQFOA-GGMCWBHBSA-N. The full InChI is InChI=1S/C16H26N2S.2ClH/c1-3-4-5-16(18-12-10-17-11-13-18)14-6-8-15(19-2)9-7-14;;/h6-9,16-17H,3-5,10-13H2,1-2H3;2*1H/t16-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride has a molecular weight of 351.39 g/mol, XLogP of 4.39, 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-methylsulfanylphenyl)pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).