4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine

C104H173N19O9 — CID 159721050

About 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine

4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine (PubChem CID 159721050) has the molecular formula C104H173N19O9 and a molecular weight of 1833.65 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine
• PubChem CID: 159721050
• Molecular Formula: C104H173N19O9
• Molecular Weight: 1833.65 g/mol
• Exact Mass: 1832.37
• IUPAC Name: 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine
• SMILES: CC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.CC(C)c1ccc(N2CCN(C)C(=O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc([C@@H]2CCOC2)c(N2CCN(C)CC2)n1
• InChI: InChI=1S/3C18H31N3O2.2C17H27N3O.C16H26N4O/c3*1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;2*1-13(2)16-5-4-15(14-6-11-21-12-14)17(18-16)20-9-7-19(3)8-10-20;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20/h3*7-8,13,17,22H,9-12H2,1-6H3;2*4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3/t2*17-;;14-;;/m10.1../s1
• InChIKey: NAARUDIHLYXDIA-CFBFZDGUSA-N
• XLogP: 13.19
• TPSA: 243.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.65
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine?

The IUPAC name of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine (CID 159721050) is 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine.

What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine?

The canonical SMILES for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine is CC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.CC(C)c1ccc(N2CCN(C)C(=O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCOC(C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc(N2CCO[C@H](C(C)(C)O)C2)c(CN(C)C)n1.CC(C)c1ccc([C@@H]2CCOC2)c(N2CCN(C)CC2)n1.

What is the InChIKey of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine?

The InChIKey is NAARUDIHLYXDIA-CFBFZDGUSA-N. The full InChI is InChI=1S/3C18H31N3O2.2C17H27N3O.C16H26N4O/c3*1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;2*1-13(2)16-5-4-15(14-6-11-21-12-14)17(18-16)20-9-7-19(3)8-10-20;1-12(2)13-6-7-15(14(17-13)10-18(3)4)20-9-8-19(5)16(21)11-20/h3*7-8,13,17,22H,9-12H2,1-6H3;2*4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3/t2*17-;;14-;;/m10.1../s1.

What are the key properties of 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine?

4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine has a molecular weight of 1833.65 g/mol, XLogP of 13.19, 25 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-1-methylpiperazin-2-one;2-[(2S)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[(2R)-4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;2-[4-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]morpholin-2-yl]propan-2-ol;1-methyl-4-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-methyl-4-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine is sourced from PubChem (CID 159721050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).