3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane

C13H24N2O — CID 104595156

IUPAC3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(CN2CC3CCC(C2)O3)CCCCN1
InChIInChI=1S/C13H24N2O/c1-13(6-2-3-7-14-13)10-15-8-11-4-5-12(9-15)16-11/h11-12,14H,2-10H2,1H3
InChIKeyHRRVDVPRHMCBOY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

About 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 104595156) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID104595156
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(CN2CC3CCC(C2)O3)CCCCN1
InChIInChI=1S/C13H24N2O/c1-13(6-2-3-7-14-13)10-15-8-11-4-5-12(9-15)16-11/h11-12,14H,2-10H2,1H3
InChIKeyHRRVDVPRHMCBOY-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 104595156) is 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is CC1(CN2CC3CCC(C2)O3)CCCCN1.
What is the InChIKey of 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is HRRVDVPRHMCBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(6-2-3-7-14-13)10-15-8-11-4-5-12(9-15)16-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpiperidin-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 104595156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).