5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one

C11H21N3O2 — CID 115102651

IUPAC5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
SMILESCN1CCCC(N2C(=O)COCC2CN)C1
InChIInChI=1S/C11H21N3O2/c1-13-4-2-3-9(6-13)14-10(5-12)7-16-8-11(14)15/h9-10H,2-8,12H2,1H3
InChIKeyRDDHNGFJWHRMDQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.73
Rot. Bonds2

About 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one

5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one (PubChem CID 115102651) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
PubChem CID115102651
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
SMILESCN1CCCC(N2C(=O)COCC2CN)C1
InChIInChI=1S/C11H21N3O2/c1-13-4-2-3-9(6-13)14-10(5-12)7-16-8-11(14)15/h9-10H,2-8,12H2,1H3
InChIKeyRDDHNGFJWHRMDQ-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102665
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576
5-(aminomethyl)-4-(thian-2-yl)morpholin-3-one
CID 115102691
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
(5S)-5-(aminomethyl)-3-(1-methylpiperidin-3-yl)-1,3-oxazolidin-2-one
CID 115056639
(9aR)-8-methyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
CID 58439173
6-(aminomethyl)-4-methyl-1,4-oxazepan-3-one;ethane
CID 143680577
5-(aminomethyl)-4-(oxan-3-ylmethyl)morpholin-3-one
CID 115102750
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one (CID 115102651) is 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one is CN1CCCC(N2C(=O)COCC2CN)C1.
What is the InChIKey of 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one?
The InChIKey is RDDHNGFJWHRMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-4-2-3-9(6-13)14-10(5-12)7-16-8-11(14)15/h9-10H,2-8,12H2,1H3.
What are the key properties of 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one?
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one has a molecular weight of 227.31 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one is sourced from PubChem (CID 115102651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).