1-[(1-methylsulfanylcyclohexyl)methyl]piperazine

C12H24N2S — CID 82510061

IUPAC1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
SMILESCSC1(CN2CCNCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c1-15-12(5-3-2-4-6-12)11-14-9-7-13-8-10-14/h13H,2-11H2,1H3
InChIKeyRCGXYVHTPWYNLW-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds3

About 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine

1-[(1-methylsulfanylcyclohexyl)methyl]piperazine (PubChem CID 82510061) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
PubChem CID82510061
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-[(1-methylsulfanylcyclohexyl)methyl]piperazine
SMILESCSC1(CN2CCNCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c1-15-12(5-3-2-4-6-12)11-14-9-7-13-8-10-14/h13H,2-11H2,1H3
InChIKeyRCGXYVHTPWYNLW-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845662
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
N-ethyl-1-[(1-methylsulfanylcyclohexyl)methyl]piperidin-4-amine
CID 114116724
3-[4-[(1-methylsulfanylcyclobutyl)methyl]piperazin-1-yl]propanoic acid
CID 114269978
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
1-(piperazin-1-ylmethyl)cyclopentane-1-carbonitrile
CID 82505181
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
CID 82511228
2,2-dimethyl-1-[(1-methylsulfanylcyclobutyl)methyl]azetidine
CID 131065615
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705
4-ethyl-4-methylsulfanylpiperidine
CID 148783582

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine?
The IUPAC name of 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine (CID 82510061) is 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine?
The canonical SMILES for 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine is CSC1(CN2CCNCC2)CCCCC1.
What is the InChIKey of 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine?
The InChIKey is RCGXYVHTPWYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-15-12(5-3-2-4-6-12)11-14-9-7-13-8-10-14/h13H,2-11H2,1H3.
What are the key properties of 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine?
1-[(1-methylsulfanylcyclohexyl)methyl]piperazine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfanylcyclohexyl)methyl]piperazine is sourced from PubChem (CID 82510061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).