3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one

C12H24N2O2 — CID 119544189

IUPAC3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-3)12(15)14-6-4-11(5-7-14)8-13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyJZHXYXQLYWTQCY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one

3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 119544189) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID119544189
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-10(9-16-3)12(15)14-6-4-11(5-7-14)8-13-2/h10-11,13H,4-9H2,1-3H3
InChIKeyJZHXYXQLYWTQCY-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539844
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-(4-methoxypiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196326
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 119544189) is 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCN(C(=O)C(C)COC)CC1.
What is the InChIKey of 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JZHXYXQLYWTQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(9-16-3)12(15)14-6-4-11(5-7-14)8-13-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one?
3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119544189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).