2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one

C12H21NO2 — CID 79397264

IUPAC2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one
SMILESCC1C(=O)CCN(CC2CCCO2)C1C
InChIInChI=1S/C12H21NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3
InChIKeyNZWNGODFVPNUAR-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.46
Rot. Bonds2

About 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one

2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one (PubChem CID 79397264) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one
PubChem CID79397264
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one
SMILESCC1C(=O)CCN(CC2CCCO2)C1C
InChIInChI=1S/C12H21NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3
InChIKeyNZWNGODFVPNUAR-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-2,3-dimethylpiperidin-4-one
CID 4431478
1-Methyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b]pyridin-4-one
CID 85255394
4-(2-Methylpropyl)-1-(oxolan-2-ylmethyl)piperidine
CID 59001022
3-Ethyl-1-(oxolan-2-ylmethyl)piperidine
CID 128928921
4-Methyl-1-morpholin-4-ylhexan-3-one
CID 162432355
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
2,2,4-Trimethyl-5-morpholin-4-ylhexan-3-one
CID 166460737
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one (CID 79397264) is 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one is CC1C(=O)CCN(CC2CCCO2)C1C.
What is the InChIKey of 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one?
The InChIKey is NZWNGODFVPNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-10(2)13(6-5-12(9)14)8-11-4-3-7-15-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one?
2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.46, 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-(oxolan-2-ylmethyl)piperidin-4-one is sourced from PubChem (CID 79397264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).