3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

C16H30N2 — CID 79615695

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CCCC(C)N1CCC1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2/c1-12-4-3-5-13(2)18(12)9-8-14-10-15-6-7-16(11-14)17-15/h12-17H,3-11H2,1-2H3
InChIKeyJMBDAWYEHWCEIA-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds3

About 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 79615695) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
PubChem CID79615695
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1CCCC(C)N1CCC1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2/c1-12-4-3-5-13(2)18(12)9-8-14-10-15-6-7-16(11-14)17-15/h12-17H,3-11H2,1-2H3
InChIKeyJMBDAWYEHWCEIA-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (CID 79615695) is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is CC1CCCC(C)N1CCC1CC2CCC(C1)N2.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is JMBDAWYEHWCEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-4-3-5-13(2)18(12)9-8-14-10-15-6-7-16(11-14)17-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 250.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 79615695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).