1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine

C18H36N2 — CID 64940903

IUPAC1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1C1CC(C)CC(C)C1
InChIInChI=1S/C18H36N2/c1-6-16-12-19-18(7-2,8-3)13-20(16)17-10-14(4)9-15(5)11-17/h14-17,19H,6-13H2,1-5H3
InChIKeyPJYMCODEEBGORQ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine

1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine (PubChem CID 64940903) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
PubChem CID64940903
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1C1CC(C)CC(C)C1
InChIInChI=1S/C18H36N2/c1-6-16-12-19-18(7-2,8-3)13-20(16)17-10-14(4)9-15(5)11-17/h14-17,19H,6-13H2,1-5H3
InChIKeyPJYMCODEEBGORQ-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-triethyl-1-(3-methylcyclohexyl)piperazine
CID 64935770
2,5,5-triethyl-1-(4-propylcyclohexyl)piperazine
CID 64948411
1-(2,3-dimethylcyclopentyl)-2,5,5-triethylpiperazine
CID 64941490
2,5,5-triethyl-1-(3-ethyl-2-methylcyclopentyl)piperazine
CID 64941493
2,5,5-triethyl-1-methylpiperazine
CID 64859654
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934232
5,5-diethyl-2-methyl-1-(2-methylcyclopropyl)piperazine
CID 64948522
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
2-ethyl-5,5-dimethyl-1-(4-methylcyclohexyl)piperazine
CID 64932642
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
2,5,5-triethyl-1-prop-2-ynylpiperazine
CID 64933788
2,5,5-triethyl-1-(2-methylpentan-2-yl)piperazine
CID 113472027

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine (CID 64940903) is 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine is CCC1CNC(CC)(CC)CN1C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine?
The InChIKey is PJYMCODEEBGORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-16-12-19-18(7-2,8-3)13-20(16)17-10-14(4)9-15(5)11-17/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine?
1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine is sourced from PubChem (CID 64940903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).