1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate

C14H28N2O3 — CID 22445019

IUPAC1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate
SMILESCC1CC(=O)CCN1C.CCOC(=O)CC(C)NC
InChIInChI=1S/C7H15NO2.C7H13NO/c1-4-10-7(9)5-6(2)8-3;1-6-5-7(9)3-4-8(6)2/h6,8H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeyBLCKURDFUMISNP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.22
Rot. Bonds4

About 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate

1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate (PubChem CID 22445019) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate
PubChem CID22445019
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate
SMILESCC1CC(=O)CCN1C.CCOC(=O)CC(C)NC
InChIInChI=1S/C7H15NO2.C7H13NO/c1-4-10-7(9)5-6(2)8-3;1-6-5-7(9)3-4-8(6)2/h6,8H,4-5H2,1-3H3;6H,3-5H2,1-2H3
InChIKeyBLCKURDFUMISNP-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate?
The IUPAC name of 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate (CID 22445019) is 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate.
What is the SMILES notation for 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate?
The canonical SMILES for 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate is CC1CC(=O)CCN1C.CCOC(=O)CC(C)NC.
What is the InChIKey of 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate?
The InChIKey is BLCKURDFUMISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C7H13NO/c1-4-10-7(9)5-6(2)8-3;1-6-5-7(9)3-4-8(6)2/h6,8H,4-5H2,1-3H3;6H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate?
1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidin-4-one;ethyl 3-(methylamino)butanoate is sourced from PubChem (CID 22445019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).