3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one

C12H23NO4 — CID 106991328

IUPAC3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one
SMILESCOCC(C)OCC(O)CC1CNCCC1=O
InChIInChI=1S/C12H23NO4/c1-9(7-16-2)17-8-11(14)5-10-6-13-4-3-12(10)15/h9-11,13-14H,3-8H2,1-2H3
InChIKeyDYAXIKUPMABBEZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.03
Rot. Bonds7

About 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one

3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one (PubChem CID 106991328) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one
PubChem CID106991328
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one
SMILESCOCC(C)OCC(O)CC1CNCCC1=O
InChIInChI=1S/C12H23NO4/c1-9(7-16-2)17-8-11(14)5-10-6-13-4-3-12(10)15/h9-11,13-14H,3-8H2,1-2H3
InChIKeyDYAXIKUPMABBEZ-UHFFFAOYSA-N
XLogP-0.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
CID 114451573
3-(2,3-dihydroxypropyl)piperidin-4-one
CID 114451721
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
2-(2-hydroxy-3-methoxypropyl)cycloheptan-1-one
CID 79416864
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(1-methoxypropan-2-yloxy)-3-piperidin-4-yloxypropan-2-ol
CID 106991198
1-(1-methoxypropan-2-yloxy)-3-(piperidin-4-ylmethoxy)propan-2-ol
CID 106991203
3-(hydroxymethyl)piperidin-4-one
CID 154392175
3-(2-hydroxy-3-methoxypropyl)azepan-2-one
CID 104679704
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one (CID 106991328) is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one is COCC(C)OCC(O)CC1CNCCC1=O.
What is the InChIKey of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one?
The InChIKey is DYAXIKUPMABBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(7-16-2)17-8-11(14)5-10-6-13-4-3-12(10)15/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one?
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-one is sourced from PubChem (CID 106991328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).