2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine

C11H22N2O — CID 116869626

IUPAC2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
SMILESCN1CCCC(C2(CCN)COC2)C1
InChIInChI=1S/C11H22N2O/c1-13-6-2-3-10(7-13)11(4-5-12)8-14-9-11/h10H,2-9,12H2,1H3
InChIKeyOADWPXRNRYYTLK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds3

About 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine

2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine (PubChem CID 116869626) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
PubChem CID116869626
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
SMILESCN1CCCC(C2(CCN)COC2)C1
InChIInChI=1S/C11H22N2O/c1-13-6-2-3-10(7-13)11(4-5-12)8-14-9-11/h10H,2-9,12H2,1H3
InChIKeyOADWPXRNRYYTLK-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-oxa-7-azaspiro[3.5]nonane
CID 83959974
(3R,4S)-4-tert-butyl-3-(2-methoxyethyl)piperidine
CID 58661899
(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine
CID 59170636
4-(Cyclopropylmethyl)-4-(methoxymethyl)piperidine
CID 68321463
5,9-Dimethyl-2-oxa-7-azaspiro[3.5]nonane
CID 83959973
3-(Oxetan-3-yl)piperidine
CID 90946677
6-Propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 130211390
3-(Oxetan-3-yl)-5-propan-2-ylpiperidine
CID 137511865
6-Ethyl-2-oxa-7-azaspiro[3.5]nonane
CID 146204485
4-Tert-butyl-4-[2,5,5,7,7-pentamethyl-6-(oxetan-3-yl)octan-2-yl]piperidine
CID 146352751
(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane
CID 162148696
N-ethyl-1-methoxy-2-(1-methylpiperidin-3-yl)ethanamine
CID 169569999

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The IUPAC name of 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine (CID 116869626) is 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine is CN1CCCC(C2(CCN)COC2)C1.
What is the InChIKey of 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The InChIKey is OADWPXRNRYYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-6-2-3-10(7-13)11(4-5-12)8-14-9-11/h10H,2-9,12H2,1H3.
What are the key properties of 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).