1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride

C18H30Cl2N2S — CID 171281956

IUPAC1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
SMILESCSc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2S.2ClH/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20;;/h7-10,15,18-19H,2-6,11-14H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyZWYFSCJGIDQQCR-NTEVMMBTSA-N
MW377.43 g/mol
LogP4.78
Rot. Bonds4

About 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride

1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171281956) has the molecular formula C18H30Cl2N2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171281956
Molecular FormulaC18H30Cl2N2S
Molecular Weight377.43 g/mol
Exact Mass376.15
IUPAC Name1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
SMILESCSc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C18H28N2S.2ClH/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20;;/h7-10,15,18-19H,2-6,11-14H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyZWYFSCJGIDQQCR-NTEVMMBTSA-N
XLogP4.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclopentyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine
CID 171165271
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]benzonitrile
CID 171285149
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride (CID 171281956) is 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride is CSc1ccc([C@H](C2CCCCC2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is ZWYFSCJGIDQQCR-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H28N2S.2ClH/c1-21-17-9-7-16(8-10-17)18(15-5-3-2-4-6-15)20-13-11-19-12-14-20;;/h7-10,15,18-19H,2-6,11-14H2,1H3;2*1H/t18-;;/m0../s1.
What are the key properties of 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride?
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 377.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).