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

C12H24N2O2 — CID 103021432

IUPAC2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCCN1C(=O)C(C)(C)OC
InChIInChI=1S/C12H24N2O2/c1-12(2,16-4)11(15)14-8-6-5-7-10(14)9-13-3/h10,13H,5-9H2,1-4H3
InChIKeyCJWYGKWOFDILJF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

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

2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one (PubChem CID 103021432) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
PubChem CID103021432
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
SMILESCNCC1CCCCN1C(=O)C(C)(C)OC
InChIInChI=1S/C12H24N2O2/c1-12(2,16-4)11(15)14-8-6-5-7-10(14)9-13-3/h10,13H,5-9H2,1-4H3
InChIKeyCJWYGKWOFDILJF-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249081
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one (CID 103021432) is 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one is CNCC1CCCCN1C(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CJWYGKWOFDILJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,16-4)11(15)14-8-6-5-7-10(14)9-13-3/h10,13H,5-9H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one?
2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 103021432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).