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

C59H127N7O5 — CID 162136591

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

1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 162136591) has the molecular formula C59H127N7O5 and a molecular weight of 1014.71 g/mol. Its IUPAC name is 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
• PubChem CID: 162136591
• Molecular Formula: C59H127N7O5
• Molecular Weight: 1014.71 g/mol
• Exact Mass: 1013.99
• IUPAC Name: 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;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.CC1CCCCC1.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CCN1CCC(C)CC1.CCOC(=O)N1CCC(C)CC1
• InChI: InChI=1S/C9H17NO2.2C8H15NO.C8H17N.C7H14N2O.C7H15N.C7H14.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-3-9-6-4-8(2)5-7-9;1-6-2-4-9(5-3-6)7(8)10;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;;;;;/h8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7H,3-6H2,1-2H3;7H,2-6H2,1H3;5*1H4
• InChIKey: ZJJHQAVWIZDVJJ-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 122.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.71
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (CID 162136591) is 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;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;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?

The canonical SMILES for 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;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.CC1CCCCC1.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CCN1CCC(C)CC1.CCOC(=O)N1CCC(C)CC1.

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

The InChIKey is ZJJHQAVWIZDVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.2C8H15NO.C8H17N.C7H14N2O.C7H15N.C7H14.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-3-9-6-4-8(2)5-7-9;1-6-2-4-9(5-3-6)7(8)10;1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;;;;;/h8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);7H,3-6H2,1-2H3;7H,2-6H2,1H3;5*1H4.

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

1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 1014.71 g/mol, XLogP of 14.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 162136591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).