3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane

C14H26N2O2 — CID 163585823

IUPAC3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CCC(C)(OCN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H26N2O2/c1-14(5-7-15(2)8-6-14)17-11-16-9-12-3-4-13(10-16)18-12/h12-13H,3-11H2,1-2H3
InChIKeyGLJQVFPXQZPYEN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds3

About 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 163585823) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID163585823
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCN1CCC(C)(OCN2CC3CCC(C2)O3)CC1
InChIInChI=1S/C14H26N2O2/c1-14(5-7-15(2)8-6-14)17-11-16-9-12-3-4-13(10-16)18-12/h12-13H,3-11H2,1-2H3
InChIKeyGLJQVFPXQZPYEN-UHFFFAOYSA-N
XLogP1.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 163585823) is 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane is CN1CCC(C)(OCN2CC3CCC(C2)O3)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is GLJQVFPXQZPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(5-7-15(2)8-6-14)17-11-16-9-12-3-4-13(10-16)18-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 254.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)oxymethyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 163585823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).