5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine

C18H34N2 — CID 64940499

IUPAC5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine
SMILESCCC1(C)CN(C2C3(C)CCC(C3)C2(C)C)C(C)CN1
InChIInChI=1S/C18H34N2/c1-7-18(6)12-20(13(2)11-19-18)15-16(3,4)14-8-9-17(15,5)10-14/h13-15,19H,7-12H2,1-6H3
InChIKeyZQXWGWJWBYAVDK-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.66
Rot. Bonds2

About 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine

5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine (PubChem CID 64940499) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine
PubChem CID64940499
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine
SMILESCCC1(C)CN(C2C3(C)CCC(C3)C2(C)C)C(C)CN1
InChIInChI=1S/C18H34N2/c1-7-18(6)12-20(13(2)11-19-18)15-16(3,4)14-8-9-17(15,5)10-14/h13-15,19H,7-12H2,1-6H3
InChIKeyZQXWGWJWBYAVDK-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-9-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-6,9-diazaspiro[4.5]decane
CID 64940112
5-ethyl-2,5-dimethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine
CID 79350282
5-ethyl-2,5-dimethyl-1-(2-methylsulfanylcyclohexyl)piperazine
CID 114122796
1-(1-cyclopropylpyrrolidin-3-yl)-5-ethyl-2,5-dimethylpiperazine
CID 64947502
1-(2,3-dimethylcyclopentyl)-2,5-diethyl-5-methylpiperazine
CID 64939777
1-cyclopentyl-2,5-diethyl-5-methylpiperazine
CID 64931233
5-ethyl-2,5-dimethyl-1-(1-methylcyclohexyl)piperazine
CID 64947335
1-cyclooctyl-2,5-diethyl-5-methylpiperazine
CID 64930575
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
1-butyl-5-ethyl-2,5-dimethylpiperazine
CID 64849431
3-(2,5-diethyl-5-methylpiperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 64932860
5-ethyl-2,5-dimethyl-1-[(2-methyloxolan-3-yl)methyl]piperazine
CID 114106372

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine?
The IUPAC name of 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine (CID 64940499) is 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine.
What is the SMILES notation for 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine?
The canonical SMILES for 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine is CCC1(C)CN(C2C3(C)CCC(C3)C2(C)C)C(C)CN1.
What is the InChIKey of 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine?
The InChIKey is ZQXWGWJWBYAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-7-18(6)12-20(13(2)11-19-18)15-16(3,4)14-8-9-17(15,5)10-14/h13-15,19H,7-12H2,1-6H3.
What are the key properties of 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine?
5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine has a molecular weight of 278.48 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine is sourced from PubChem (CID 64940499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).