1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

C12H23NO3 — CID 103021260

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)OC)CCC1O
InChIInChI=1S/C12H23NO3/c1-5-9-8-13(7-6-10(9)14)11(15)12(2,3)16-4/h9-10,14H,5-8H2,1-4H3
InChIKeyYQMDQJUHQDIDET-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds3

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103021260) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103021260
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)OC)CCC1O
InChIInChI=1S/C12H23NO3/c1-5-9-8-13(7-6-10(9)14)11(15)12(2,3)16-4/h9-10,14H,5-8H2,1-4H3
InChIKeyYQMDQJUHQDIDET-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxy-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 45823549
2-(3-Methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 86848429
1-[4-(1-Fluoroethyl)-4-hydroxypiperidin-1-yl]-2-propan-2-yloxyethanone
CID 175634203
2-Ethoxy-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 109884076
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(3-methylbutoxy)propan-1-one
CID 109884221
1-(3-Hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 109958106
2-[(2-Methylpropan-2-yl)oxy]-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 110000344
2-Ethoxy-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329027
2-Methoxy-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329049
2-Butoxy-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329363
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 112364535
1-(4-Hydroxy-3-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 113627083

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (CID 103021260) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one is CCC1CN(C(=O)C(C)(C)OC)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is YQMDQJUHQDIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-9-8-13(7-6-10(9)14)11(15)12(2,3)16-4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103021260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).