2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one

C13H23NO2 — CID 79397586

IUPAC2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one
SMILESCC1C(=O)CCN(C(C)C2CCCO2)C1C
InChIInChI=1S/C13H23NO2/c1-9-10(2)14(7-6-12(9)15)11(3)13-5-4-8-16-13/h9-11,13H,4-8H2,1-3H3
InChIKeyBZWPESJKMWRFKW-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.85
Rot. Bonds2

About 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one

2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one (PubChem CID 79397586) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one
PubChem CID79397586
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one
SMILESCC1C(=O)CCN(C(C)C2CCCO2)C1C
InChIInChI=1S/C13H23NO2/c1-9-10(2)14(7-6-12(9)15)11(3)13-5-4-8-16-13/h9-11,13H,4-8H2,1-3H3
InChIKeyBZWPESJKMWRFKW-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b]pyridin-4-one
CID 85255394
1-((1R,3S)-3-(ethoxymethyl)cyclopentyl)piperidin-4-one
CID 57949014
1-[3-(Ethoxymethyl)cyclopentyl]piperidin-4-one
CID 76655504
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)-4-methylhex-1-yn-3-one
CID 156736950
4-[[(1S,3S,5S)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]methoxy]butan-2-one
CID 170366457
4-[[(1R,3S,5R)-2-propan-2-yl-2-azabicyclo[3.1.0]hexan-3-yl]methoxy]butan-2-one
CID 170366460
4-[[(1S,2S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]butan-2-one
CID 170366466
4-[[(1R,2S,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]butan-2-one
CID 170366468
3-Methyl-1-(4-methylmorpholin-3-yl)butan-2-one
CID 170610135
4-methyl-1-[4-[2-[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]piperidin-1-yl]pentan-3-one
CID 178904043
4-methyl-1-[4-[[(2S)-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pentan-3-one
CID 178904073
(4aS,7aR)-1-methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b]pyridin-4-one
CID 10749409

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one (CID 79397586) is 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one is CC1C(=O)CCN(C(C)C2CCCO2)C1C.
What is the InChIKey of 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one?
The InChIKey is BZWPESJKMWRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-10(2)14(7-6-12(9)15)11(3)13-5-4-8-16-13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one?
2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[1-(oxolan-2-yl)ethyl]piperidin-4-one is sourced from PubChem (CID 79397586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).