3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

C18H34N2 — CID 79614848

IUPAC3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCCC1(CC)CCN(CCC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C18H34N2/c1-3-18(4-2)8-11-20(12-9-18)10-7-15-13-16-5-6-17(14-15)19-16/h15-17,19H,3-14H2,1-2H3
InChIKeyDGTDABMNESAQPX-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds5

About 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 79614848) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
PubChem CID79614848
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCCC1(CC)CCN(CCC2CC3CCC(C2)N3)CC1
InChIInChI=1S/C18H34N2/c1-3-18(4-2)8-11-20(12-9-18)10-7-15-13-16-5-6-17(14-15)19-16/h15-17,19H,3-14H2,1-2H3
InChIKeyDGTDABMNESAQPX-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (CID 79614848) is 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is CCC1(CC)CCN(CCC2CC3CCC(C2)N3)CC1.
What is the InChIKey of 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is DGTDABMNESAQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-18(4-2)8-11-20(12-9-18)10-7-15-13-16-5-6-17(14-15)19-16/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 278.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 79614848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).