2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C10H19NO3 — CID 60958052

IUPAC2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-8-10(13)11-5-3-9(7-12)4-6-11/h9,12H,2-8H2,1H3
InChIKeySFASPUDJJBKCLE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds4

About 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 60958052) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID60958052
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c1-2-14-8-10(13)11-5-3-9(7-12)4-6-11/h9,12H,2-8H2,1H3
InChIKeySFASPUDJJBKCLE-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
CID 176554247
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-ethoxyethanone
CID 95358475
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 60958052) is 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is SFASPUDJJBKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-8-10(13)11-5-3-9(7-12)4-6-11/h9,12H,2-8H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).