4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one

C12H22N2O3 — CID 115102659

IUPAC4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESCCN1CCCC(N2C(=O)COCC2CO)C1
InChIInChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyDCDHZOJVQUUEDK-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds3

About 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one

4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one (PubChem CID 115102659) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
PubChem CID115102659
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
SMILESCCN1CCCC(N2C(=O)COCC2CO)C1
InChIInChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyDCDHZOJVQUUEDK-UHFFFAOYSA-N
XLogP-0.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpyrrolidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102576
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-(hydroxymethyl)-4-(thian-4-yl)morpholin-3-one
CID 115102593
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
5-(hydroxymethyl)-4-pyrrolidin-2-ylmorpholin-3-one
CID 115102678
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-2-carboxylic acid
CID 115102972
3-[(1-ethylpiperidin-3-yl)methyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115102503
4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102665
6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
2-cyclopentyl-3-(1-ethylpiperidin-3-yl)-5-methylimidazolidin-4-one
CID 83245102
2-cyclopentyl-5-ethyl-3-(1-ethylpiperidin-3-yl)imidazolidin-4-one
CID 83246390

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one (CID 115102659) is 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one is CCN1CCCC(N2C(=O)COCC2CO)C1.
What is the InChIKey of 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
The InChIKey is DCDHZOJVQUUEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-13-5-3-4-10(6-13)14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3.
What are the key properties of 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one?
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one has a molecular weight of 242.32 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 115102659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).