5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine

C18H36N2 — CID 64934232

IUPAC5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(12-19-18)14(3)4)16-10-8-9-15(5)11-16/h14-17,19H,6-13H2,1-5H3
InChIKeyNKIHOEWAUUTWCY-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds4

About 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine

5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine (PubChem CID 64934232) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
PubChem CID64934232
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(C2CCCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(12-19-18)14(3)4)16-10-8-9-15(5)11-16/h14-17,19H,6-13H2,1-5H3
InChIKeyNKIHOEWAUUTWCY-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

1-cyclobutyl-5,5-diethyl-2-propan-2-ylpiperazine
CID 64948342
2,5,5-triethyl-1-(3-methylcyclohexyl)piperazine
CID 64935770
5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 114551182
1-(2,3-dimethylcyclohexyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64931871
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
5,5-diethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940929
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
3-(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932669
1-(3,5-dimethylcyclohexyl)-2,5,5-triethylpiperazine
CID 64940903
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
4-cycloheptyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934612

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine (CID 64934232) is 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine is CCC1(CC)CN(C2CCCC(C)C2)C(C(C)C)CN1.
What is the InChIKey of 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine?
The InChIKey is NKIHOEWAUUTWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-18(7-2)13-20(17(12-19-18)14(3)4)16-10-8-9-15(5)11-16/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine?
5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine 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 5,5-diethyl-1-(3-methylcyclohexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).