3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane

C19H36N2 — CID 176985470

IUPAC3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCCC(C)C1CC2CCC(C1)N2CC1CCN(CC)CC1
InChIInChI=1S/C19H36N2/c1-4-15(3)17-12-18-6-7-19(13-17)21(18)14-16-8-10-20(5-2)11-9-16/h15-19H,4-14H2,1-3H3
InChIKeyIUEFSTOOYZAAHI-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.01
Rot. Bonds5

About 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane

3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 176985470) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID176985470
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCCC(C)C1CC2CCC(C1)N2CC1CCN(CC)CC1
InChIInChI=1S/C19H36N2/c1-4-15(3)17-12-18-6-7-19(13-17)21(18)14-16-8-10-20(5-2)11-9-16/h15-19H,4-14H2,1-3H3
InChIKeyIUEFSTOOYZAAHI-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 176985470) is 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane is CCC(C)C1CC2CCC(C1)N2CC1CCN(CC)CC1.
What is the InChIKey of 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is IUEFSTOOYZAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-15(3)17-12-18-6-7-19(13-17)21(18)14-16-8-10-20(5-2)11-9-16/h15-19H,4-14H2,1-3H3.
What are the key properties of 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane?
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 292.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).