1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one

C12H24N2O2 — CID 102957368

IUPAC1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H24N2O2/c1-9-6-7-14(8-10(9)16-5)11(15)12(2,3)13-4/h9-10,13H,6-8H2,1-5H3
InChIKeyHNTRQRMZNGXLDB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds3

About 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one

1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 102957368) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID102957368
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C12H24N2O2/c1-9-6-7-14(8-10(9)16-5)11(15)12(2,3)13-4/h9-10,13H,6-8H2,1-5H3
InChIKeyHNTRQRMZNGXLDB-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one (CID 102957368) is 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)N1CCC(C)C(OC)C1.
What is the InChIKey of 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is HNTRQRMZNGXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-7-14(8-10(9)16-5)11(15)12(2,3)13-4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 102957368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).