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

C76H162N8O6 — CID 159712254

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

tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 159712254) has the molecular formula C76H162N8O6 and a molecular weight of 1284.18 g/mol. Its IUPAC name is tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
• PubChem CID: 159712254
• Molecular Formula: C76H162N8O6
• Molecular Weight: 1284.18 g/mol
• Exact Mass: 1283.26
• IUPAC Name: tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;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.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C)CC1.CCOC(=O)N1CCC(C)CC1
• InChI: InChI=1S/C11H21NO2.C9H17NO2.2C8H15NO.4C7H15N.C7H14.5CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-3-12-9(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;1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;;;;;/h9H,5-8H2,1-4H3;8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;4*7H,3-6H2,1-2H3;7H,2-6H2,1H3;5*1H4
• InChIKey: MYZIEJQTDFSIRM-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 112.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.18
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (CID 159712254) is tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

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

The canonical SMILES for tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;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.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCN(C(=O)OC(C)(C)C)CC1.CC1CCN(C)CC1.CCOC(=O)N1CCC(C)CC1.

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

The InChIKey is MYZIEJQTDFSIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C9H17NO2.2C8H15NO.4C7H15N.C7H14.5CH4/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-3-12-9(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;1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;;;;;/h9H,5-8H2,1-4H3;8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;4*7H,3-6H2,1-2H3;7H,2-6H2,1H3;5*1H4.

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

tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 1284.18 g/mol, XLogP of 18.50, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159712254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).