1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one

C10H19NO3 — CID 63931756

IUPAC1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
SMILESCCOCC(O)CN1CCC(=O)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-8-10(13)7-11-5-3-9(12)4-6-11/h10,13H,2-8H2,1H3
InChIKeyZPUKPVTUMNVTSG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.05
Rot. Bonds5

About 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one

1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one (PubChem CID 63931756) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
PubChem CID63931756
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one
SMILESCCOCC(O)CN1CCC(=O)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-8-10(13)7-11-5-3-9(12)4-6-11/h10,13H,2-8H2,1H3
InChIKeyZPUKPVTUMNVTSG-UHFFFAOYSA-N
XLogP0.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-(4,4-dimethylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 63931924
(2R)-1-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-methylbutan-1-one
CID 95613768
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-(3,4-dimethylpyrrolidin-1-yl)-3-ethoxypropan-2-ol
CID 79038151
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethoxypropan-2-ol
CID 63931900
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
1-ethoxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol
CID 63933575

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one?
The IUPAC name of 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one (CID 63931756) is 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one.
What is the SMILES notation for 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one?
The canonical SMILES for 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one is CCOCC(O)CN1CCC(=O)CC1.
What is the InChIKey of 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one?
The InChIKey is ZPUKPVTUMNVTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-8-10(13)7-11-5-3-9(12)4-6-11/h10,13H,2-8H2,1H3.
What are the key properties of 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one?
1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one has a molecular weight of 201.27 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-hydroxypropyl)piperidin-4-one is sourced from PubChem (CID 63931756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).