1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

C12H21NO2 — CID 114390137

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14)13-7-5-10(6-8-13)9-15-4/h5H,6-9H2,1-4H3
InChIKeyDZEKICOAHVLHEQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds2

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 114390137) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID114390137
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-12(2,3)11(14)13-7-5-10(6-8-13)9-15-4/h5H,6-9H2,1-4H3
InChIKeyDZEKICOAHVLHEQ-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-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

2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2,2,3,3-tetrafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113586007
2,2,3,3,3-pentafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114038258
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
tert-butyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114393268
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290009
3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290013
3-tert-butyl-2-methoxy-1-methyl-2H-pyrrol-5-one;2,2-dimethylpropanal
CID 153380633
2,2-dimethylpropanal;2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 153380634
2,2-dimethylpropanal;3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 153380642
methyl 5-ethyl-6-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11845726

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one (CID 114390137) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is COCC1=CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DZEKICOAHVLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)11(14)13-7-5-10(6-8-13)9-15-4/h5H,6-9H2,1-4H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 114390137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).