6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one

C11H21N3O2 — CID 115102999

IUPAC6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
SMILESCN1CCCCC1N1CC(CN)OCC1=O
InChIInChI=1S/C11H21N3O2/c1-13-5-3-2-4-10(13)14-7-9(6-12)16-8-11(14)15/h9-10H,2-8,12H2,1H3
InChIKeyJWLJBJNSVWEQAU-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.39
Rot. Bonds2

About 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one

6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one (PubChem CID 115102999) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
PubChem CID115102999
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one
SMILESCN1CCCCC1N1CC(CN)OCC1=O
InChIInChI=1S/C11H21N3O2/c1-13-5-3-2-4-10(13)14-7-9(6-12)16-8-11(14)15/h9-10H,2-8,12H2,1H3
InChIKeyJWLJBJNSVWEQAU-UHFFFAOYSA-N
XLogP-0.39
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
CID 75531174
(6S)-6-(aminomethyl)-4-(2-methoxyethyl)morpholin-3-one
CID 42249905
1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
CID 115101846
6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
CID 116838153
6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
CID 115103002
(5S)-5-(aminomethyl)-3-(1-ethylpyrrolidin-2-yl)-1,3-oxazolidin-2-one
CID 115056661
6-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115103056
(5S)-5-(aminomethyl)-3-(1-methylpiperidin-3-yl)-1,3-oxazolidin-2-one
CID 115056639
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147
6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
CID 116838151

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one (CID 115102999) is 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one is CN1CCCCC1N1CC(CN)OCC1=O.
What is the InChIKey of 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one?
The InChIKey is JWLJBJNSVWEQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-5-3-2-4-10(13)14-7-9(6-12)16-8-11(14)15/h9-10H,2-8,12H2,1H3.
What are the key properties of 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one?
6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one has a molecular weight of 227.31 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(1-methylpiperidin-2-yl)morpholin-3-one is sourced from PubChem (CID 115102999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).