1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine

C18H36N2 — CID 64936701

IUPAC1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(C2CCC(C)C(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-12(2)17-11-20(18(10-19-17)13(3)4)16-8-7-14(5)15(6)9-16/h12-19H,7-11H2,1-6H3
InChIKeyPXUBDFYTKGETAA-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine

1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64936701) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64936701
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine
SMILESCC(C)C1CN(C2CCC(C)C(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-12(2)17-11-20(18(10-19-17)13(3)4)16-8-7-14(5)15(6)9-16/h12-19H,7-11H2,1-6H3
InChIKeyPXUBDFYTKGETAA-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2,5-di(propan-2-yl)piperazine
CID 64954463
1-cycloheptyl-2,5-di(propan-2-yl)piperazine
CID 64936529
1-(2,2-dimethylcyclopropyl)-2,5-di(propan-2-yl)piperazine
CID 64939305
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
CID 64936576
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
9-methyl-3-(5-methyl-2-propan-2-ylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonane
CID 65471309
5-methyl-1-(4-methylsulfanylcyclohexyl)-2-propan-2-ylpiperazine
CID 114122816
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
1-(2,3-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64937652
1-(2,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937246
5-cyclopropyl-1-(4,4-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64941463

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine (CID 64936701) is 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine is CC(C)C1CN(C2CCC(C)C(C)C2)C(C(C)C)CN1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is PXUBDFYTKGETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-12(2)17-11-20(18(10-19-17)13(3)4)16-8-7-14(5)15(6)9-16/h12-19H,7-11H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine?
1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 280.50 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64936701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).