2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C13H24N2O3 — CID 60638679

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O3/c1-11(13(17)14-5-7-18-8-6-14)15-4-2-3-12(9-15)10-16/h11-12,16H,2-10H2,1H3
InChIKeyOPEOICRRMLZUQD-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 60638679) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID60638679
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCCC(CO)C1
InChIInChI=1S/C13H24N2O3/c1-11(13(17)14-5-7-18-8-6-14)15-4-2-3-12(9-15)10-16/h11-12,16H,2-10H2,1H3
InChIKeyOPEOICRRMLZUQD-UHFFFAOYSA-N
XLogP-0.06
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-Methoxyethyl)piperidino]-2-morpholino-1-ethanone
CID 53150907
2-[4-(Hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 51080730
[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperazin-1-yl]-(oxan-3-yl)methanone
CID 122152014
4-[2-[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 137863017
2-[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 137872105
1-[4-[2-(2-Hydroxyethoxy)ethyl]piperazin-1-yl]ethanone;1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 143658526
1-(1-Morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid
CID 43385862
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-piperazin-1-ylpropan-1-one
CID 43590572
1-(2,6-Dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 51080729
1-Morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
1-(3,5-Dimethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60461802
2-(4-Hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 60638679) is 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OPEOICRRMLZUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(13(17)14-5-7-18-8-6-14)15-4-2-3-12(9-15)10-16/h11-12,16H,2-10H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 60638679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).