3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane

C14H26N2O — CID 66370681

IUPAC3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C14H26N2O/c1-2-14(5-7-15-8-6-14)11-16-9-12-3-4-13(10-16)17-12/h12-13,15H,2-11H2,1H3
InChIKeyVAENUNIVJPSHTP-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds3

About 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370681) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370681
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C14H26N2O/c1-2-14(5-7-15-8-6-14)11-16-9-12-3-4-13(10-16)17-12/h12-13,15H,2-11H2,1H3
InChIKeyVAENUNIVJPSHTP-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370681) is 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is CCC1(CN2CC3CCC(C2)O3)CCNCC1.
What is the InChIKey of 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is VAENUNIVJPSHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-14(5-7-15-8-6-14)11-16-9-12-3-4-13(10-16)17-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 238.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).