5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one

C12H22N2O3 — CID 115102740

IUPAC5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
SMILESCN1CCCCC1CN1C(=O)COCC1CO
InChIInChI=1S/C12H22N2O3/c1-13-5-3-2-4-10(13)6-14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyJKWSSOIALQZEIL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.31
Rot. Bonds3

About 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one

5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one (PubChem CID 115102740) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
PubChem CID115102740
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one
SMILESCN1CCCCC1CN1C(=O)COCC1CO
InChIInChI=1S/C12H22N2O3/c1-13-5-3-2-4-10(13)6-14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3
InChIKeyJKWSSOIALQZEIL-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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one (CID 115102740) is 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one is CN1CCCCC1CN1C(=O)COCC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one?
The InChIKey is JKWSSOIALQZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-5-3-2-4-10(13)6-14-11(7-15)8-17-9-12(14)16/h10-11,15H,2-9H2,1H3.
What are the key properties of 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one?
5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]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 5-(hydroxymethyl)-4-[(1-methylpiperidin-2-yl)methyl]morpholin-3-one is sourced from PubChem (CID 115102740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).