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

C13H24N2O — CID 66369896

IUPAC3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-14-7-5-13)10-15-8-11-2-3-12(9-15)16-11/h11-12,14H,2-10H2,1H3
InChIKeyCQYJLPASVYURDO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds2

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

3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66369896) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66369896
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1(CN2CC3CCC(C2)O3)CCNCC1
InChIInChI=1S/C13H24N2O/c1-13(4-6-14-7-5-13)10-15-8-11-2-3-12(9-15)16-11/h11-12,14H,2-10H2,1H3
InChIKeyCQYJLPASVYURDO-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

6-Ethyl-6-methyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 60101511
3-(Piperidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391136
3-(Piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394050
6,6,7,7-Tetramethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 142605107
Methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane
CID 143189759
4-Methyl-2-(piperidin-4-ylmethyl)morpholine
CID 147951950
6-Tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 172524075
3-(2,7-Diazaspiro[3.5]nonan-2-ylmethyl)-8-methyl-2-oxa-8-azaspiro[4.5]decane;ethane
CID 172630616
(3R)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 178713703
N-[[5-[(4-ethylpiperidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 55069236
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 55154989
[5-[(4-Ethyl-4-methylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 55158135

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 66369896) is 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is CC1(CN2CC3CCC(C2)O3)CCNCC1.
What is the InChIKey of 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CQYJLPASVYURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(4-6-14-7-5-13)10-15-8-11-2-3-12(9-15)16-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 224.35 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66369896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).