5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine

C15H30N2S — CID 114122816

IUPAC5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCSC1CCC(N2CC(C)NCC2C(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-11(2)15-9-16-12(3)10-17(15)13-5-7-14(18-4)8-6-13/h11-16H,5-10H2,1-4H3
InChIKeyMUAOXPAOVCDCGQ-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.98
Rot. Bonds3

About 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine

5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine (PubChem CID 114122816) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
PubChem CID114122816
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCSC1CCC(N2CC(C)NCC2C(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-11(2)15-9-16-12(3)10-17(15)13-5-7-14(18-4)8-6-13/h11-16H,5-10H2,1-4H3
InChIKeyMUAOXPAOVCDCGQ-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
3-(5-methyl-2-propan-2-ylpiperazin-1-yl)thiane 1,1-dioxide
CID 64938017
5-methyl-1-(oxan-3-yl)-2-propan-2-ylpiperazine
CID 64937820
2,5-dimethyl-1-(4-propan-2-ylcyclohexyl)piperazine
CID 64979562
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280
(2S,5S)-1-cyclopropyl-2,5-dimethylpiperazine;dihydrochloride
CID 162342302
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
2,5-dimethyl-1-(4-propan-2-ylcycloheptyl)piperazine
CID 65089178
1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine
CID 64936701

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine (CID 114122816) is 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine is CSC1CCC(N2CC(C)NCC2C(C)C)CC1.
What is the InChIKey of 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine?
The InChIKey is MUAOXPAOVCDCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-11(2)15-9-16-12(3)10-17(15)13-5-7-14(18-4)8-6-13/h11-16H,5-10H2,1-4H3.
What are the key properties of 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine?
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine has a molecular weight of 270.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 114122816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).