1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

C18H34N2 — CID 64930178

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(C(C)C2CC3CCC2C3)C(C(C)C)CN1
InChIInChI=1S/C18H34N2/c1-5-16-11-20(18(10-19-16)12(2)3)13(4)17-9-14-6-7-15(17)8-14/h12-19H,5-11H2,1-4H3
InChIKeyYJVGXTQMUVWPLR-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.52
Rot. Bonds4

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 64930178) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID64930178
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(C(C)C2CC3CCC2C3)C(C(C)C)CN1
InChIInChI=1S/C18H34N2/c1-5-16-11-20(18(10-19-16)12(2)3)13(4)17-9-14-6-7-15(17)8-14/h12-19H,5-11H2,1-4H3
InChIKeyYJVGXTQMUVWPLR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
CID 64952280
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
CID 64933143
1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine
CID 79444836
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 43315021
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64948573
1-(1-cyclopropylbutan-2-yl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64941639
5-ethyl-1-(2-ethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934196
2-butan-2-yl-5-ethyl-1-pentan-2-ylpiperazine
CID 114013055

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine (CID 64930178) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(C(C)C2CC3CCC2C3)C(C(C)C)CN1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is YJVGXTQMUVWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-16-11-20(18(10-19-16)12(2)3)13(4)17-9-14-6-7-15(17)8-14/h12-19H,5-11H2,1-4H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 278.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64930178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).