5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine

C18H36N2 — CID 64941461

IUPAC5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1CCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-7-14-12-19-16(17(2,3)4)13-20(14)15-8-10-18(5,6)11-9-15/h14-16,19H,7-13H2,1-6H3
InChIKeyYCDDXKXIMFKSCE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds2

About 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine

5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine (PubChem CID 64941461) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
PubChem CID64941461
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1CCC(C)(C)CC1
InChIInChI=1S/C18H36N2/c1-7-14-12-19-16(17(2,3)4)13-20(14)15-8-10-18(5,6)11-9-15/h14-16,19H,7-13H2,1-6H3
InChIKeyYCDDXKXIMFKSCE-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64935035
3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932588
5-cyclopropyl-1-(3,3-dimethylcyclopentyl)-2-ethylpiperazine
CID 114551255
5-tert-butyl-2-ethyl-1-(2-methoxycyclopentyl)piperazine
CID 64947348
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737366
5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
CID 107165359
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
CID 64941260

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine?
The IUPAC name of 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine (CID 64941461) is 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine is CCC1CNC(C(C)(C)C)CN1C1CCC(C)(C)CC1.
What is the InChIKey of 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine?
The InChIKey is YCDDXKXIMFKSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-7-14-12-19-16(17(2,3)4)13-20(14)15-8-10-18(5,6)11-9-15/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine?
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine is sourced from PubChem (CID 64941461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).