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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine

C117H188N22O8 — CID 162214575

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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine (PubChem CID 162214575) has the molecular formula C117H188N22O8 and a molecular weight of 2030.94 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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine
• PubChem CID: 162214575
• Molecular Formula: C117H188N22O8
• Molecular Weight: 2030.94 g/mol
• Exact Mass: 2029.50
• 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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine
• SMILES: CC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.CC(C)c1ccc(C2CCOC2)c(N2CCNCC2)n1.CC(C)c1ccc(N2CCN(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.CC(C)c1ccc([C@@H]2CCOC2)c(N2CCNCC2)n1.CC(C)c1ccc([C@H]2CCOC2)c(N2CCN(C)CC2)n1
• InChI: InChI=1S/C18H31N3O2.3C17H27N3O.C16H26N4O.2C16H25N3O/c1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;3*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;2*1-12(2)15-4-3-14(13-5-10-20-11-13)16(18-15)19-8-6-17-7-9-19/h7-8,13,17,22H,9-12H2,1-6H3;3*4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3;2*3-4,12-13,17H,5-11H2,1-2H3/t17-;2*14-;;;13-;/m010..1./s1
• InChIKey: ZTHGPZYSPINDOM-UYQXQEFXSA-N
• XLogP: 15.41
• TPSA: 249.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2030.94
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine (CID 162214575) 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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine is CC(C)c1ccc(C2CCOC2)c(N2CCN(C)CC2)n1.CC(C)c1ccc(C2CCOC2)c(N2CCNCC2)n1.CC(C)c1ccc(N2CCN(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.CC(C)c1ccc([C@@H]2CCOC2)c(N2CCNCC2)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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine?

The InChIKey is ZTHGPZYSPINDOM-UYQXQEFXSA-N. The full InChI is InChI=1S/C18H31N3O2.3C17H27N3O.C16H26N4O.2C16H25N3O/c1-13(2)14-7-8-16(15(19-14)11-20(5)6)21-9-10-23-17(12-21)18(3,4)22;3*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;2*1-12(2)15-4-3-14(13-5-10-20-11-13)16(18-15)19-8-6-17-7-9-19/h7-8,13,17,22H,9-12H2,1-6H3;3*4-5,13-14H,6-12H2,1-3H3;6-7,12H,8-11H2,1-5H3;2*3-4,12-13,17H,5-11H2,1-2H3/t17-;2*14-;;;13-;/m010..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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine has a molecular weight of 2030.94 g/mol, XLogP of 15.41, 24 rotatable bonds, 3 hydrogen bond donors, and 29 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;1-methyl-4-[3-[(3R)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;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;1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]piperazine;1-[3-(oxolan-3-yl)-6-propan-2-yl-2-pyridinyl]piperazine is sourced from PubChem (CID 162214575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).