1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone

C58H124N8O7 — CID 159624475

About 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone

1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 159624475) has the molecular formula C58H124N8O7 and a molecular weight of 1045.68 g/mol. Its IUPAC name is 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
• PubChem CID: 159624475
• Molecular Formula: C58H124N8O7
• Molecular Weight: 1045.68 g/mol
• Exact Mass: 1044.96
• IUPAC Name: 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
• SMILES: C.C.C.C.C.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCCC1C.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCNCC1.CCOC(=O)N1CCC(C)CC1.COC(=O)N1CCC(C)CC1
• InChI: InChI=1S/C9H17NO2.C8H15NO2.2C8H15NO.C7H14N2O.C7H15N.C6H13N.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-3-5-9(6-4-7)8(10)11-2;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;1-7-4-3-5-8(2)6-7;1-6-2-4-7-5-3-6;;;;;/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5*1H4
• InChIKey: MOHSEUCRZCNSGE-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 161.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.68
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?

The IUPAC name of 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (CID 159624475) is 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

What is the SMILES notation for 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?

The canonical SMILES for 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is C.C.C.C.C.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCCC1C.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCNCC1.CCOC(=O)N1CCC(C)CC1.COC(=O)N1CCC(C)CC1.

What is the InChIKey of 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?

The InChIKey is MOHSEUCRZCNSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C8H15NO2.2C8H15NO.C7H14N2O.C7H15N.C6H13N.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-3-5-9(6-4-7)8(10)11-2;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;1-7-4-3-5-8(2)6-7;1-6-2-4-7-5-3-6;;;;;/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5*1H4.

What are the key properties of 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?

1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 1045.68 g/mol, XLogP of 12.36, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159624475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).