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

C12H21NO2 — CID 117025156

IUPAC4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
SMILESCC1(C)CCN(CC2CCCO2)CC1=O
InChIInChI=1S/C12H21NO2/c1-12(2)5-6-13(9-11(12)14)8-10-4-3-7-15-10/h10H,3-9H2,1-2H3
InChIKeyVCARJPFHPOPMAU-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds2

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

4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one (PubChem CID 117025156) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
PubChem CID117025156
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
SMILESCC1(C)CCN(CC2CCCO2)CC1=O
InChIInChI=1S/C12H21NO2/c1-12(2)5-6-13(9-11(12)14)8-10-4-3-7-15-10/h10H,3-9H2,1-2H3
InChIKeyVCARJPFHPOPMAU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
4-methoxy-1-(oxolan-2-ylmethyl)piperidine-4-carbaldehyde
CID 175382245
N-methyl-1-[3-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318686
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
3,3-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64834436
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
CID 117024917
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55369271

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one?
The IUPAC name of 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one (CID 117025156) is 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one?
The canonical SMILES for 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one is CC1(C)CCN(CC2CCCO2)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one?
The InChIKey is VCARJPFHPOPMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)5-6-13(9-11(12)14)8-10-4-3-7-15-10/h10H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one?
4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one has a molecular weight of 211.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one is sourced from PubChem (CID 117025156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).