1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine

C53H128N12O3 — CID 159664651

About 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine

1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine (PubChem CID 159664651) has the molecular formula C53H128N12O3 and a molecular weight of 981.69 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine
• PubChem CID: 159664651
• Molecular Formula: C53H128N12O3
• Molecular Weight: 981.69 g/mol
• Exact Mass: 981.02
• IUPAC Name: 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine
• SMILES: C.C.C.C.C.C.CCC1CCN(CCN)CC1.CCC1CCNCC1.CCOC(=O)NCCN1CCC(NC)CC1.CNC1CCN(CCN)CC1.CNC1CCNCC1.COC1CCNCC1
• InChI: InChI=1S/C11H23N3O2.C9H20N2.C8H19N3.C7H15N.C6H14N2.C6H13NO.6CH4/c1-3-16-11(15)13-6-9-14-7-4-10(12-2)5-8-14;1-2-9-3-6-11(7-4-9)8-5-10;1-10-8-2-5-11(6-3-8)7-4-9;1-2-7-3-5-8-6-4-7;1-7-6-2-4-8-5-3-6;1-8-6-2-4-7-5-3-6;;;;;;/h10,12H,3-9H2,1-2H3,(H,13,15);9H,2-8,10H2,1H3;8,10H,2-7,9H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6*1H4
• InChIKey: MTGBFHVWEUGYFN-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 181.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	981.69
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine?

The IUPAC name of 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine (CID 159664651) is 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine.

What is the SMILES notation for 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine?

The canonical SMILES for 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine is C.C.C.C.C.C.CCC1CCN(CCN)CC1.CCC1CCNCC1.CCOC(=O)NCCN1CCC(NC)CC1.CNC1CCN(CCN)CC1.CNC1CCNCC1.COC1CCNCC1.

What is the InChIKey of 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine?

The InChIKey is MTGBFHVWEUGYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C9H20N2.C8H19N3.C7H15N.C6H14N2.C6H13NO.6CH4/c1-3-16-11(15)13-6-9-14-7-4-10(12-2)5-8-14;1-2-9-3-6-11(7-4-9)8-5-10;1-10-8-2-5-11(6-3-8)7-4-9;1-2-7-3-5-8-6-4-7;1-7-6-2-4-8-5-3-6;1-8-6-2-4-7-5-3-6;;;;;;/h10,12H,3-9H2,1-2H3,(H,13,15);9H,2-8,10H2,1H3;8,10H,2-7,9H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3;6*1H4.

What are the key properties of 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine?

1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine has a molecular weight of 981.69 g/mol, XLogP of 6.67, 14 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine is sourced from PubChem (CID 159664651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).