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

C12H24N2O — CID 116869717

IUPACN-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
SMILESCNCCC1(C2CCCN(C)C2)COC1
InChIInChI=1S/C12H24N2O/c1-13-6-5-12(9-15-10-12)11-4-3-7-14(2)8-11/h11,13H,3-10H2,1-2H3
InChIKeyTXKKHMMUCXJJQL-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

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

N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine (PubChem CID 116869717) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
PubChem CID116869717
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine
SMILESCNCCC1(C2CCCN(C)C2)COC1
InChIInChI=1S/C12H24N2O/c1-13-6-5-12(9-15-10-12)11-4-3-7-14(2)8-11/h11,13H,3-10H2,1-2H3
InChIKeyTXKKHMMUCXJJQL-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methoxyethyl)piperidine
CID 23152716
5-Methyl-2-oxa-7-azaspiro[3.5]nonane
CID 83959974
4-(Oxetan-3-ylmethyl)piperidine
CID 83905161
4-Cyclohexyl-4-(methoxymethyl)piperidine
CID 18318094
(3S)-3-(2-methoxyethyl)piperidine
CID 26192376
(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
4-(Methoxymethyl)-4-propan-2-ylpiperidine
CID 68321467
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine (CID 116869717) is N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine is CNCCC1(C2CCCN(C)C2)COC1.
What is the InChIKey of N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
The InChIKey is TXKKHMMUCXJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-6-5-12(9-15-10-12)11-4-3-7-14(2)8-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine?
N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).