1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

C86H99N17O2 — CID 159622448

About 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (PubChem CID 159622448) has the molecular formula C86H99N17O2 and a molecular weight of 1402.85 g/mol. Its IUPAC name is 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

• Compound Name: 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
• PubChem CID: 159622448
• Molecular Formula: C86H99N17O2
• Molecular Weight: 1402.85 g/mol
• Exact Mass: 1401.82
• IUPAC Name: 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
• SMILES: CN1CCN(c2ncccc2C#N)C(c2ccccc2)C1.CN1CCN(c2ncccc2C=O)C(c2ccccc2)C1.CN1CCN(c2ncccc2CO)C(c2ccccc2)C1.CN1CCN2c3ncccc3Cc3ccccc3C2C1.CN1CCNC(c2ccccc2)C1.Cc1ncccc1C#N
• InChI: InChI=1S/C17H18N4.C17H21N3O.C17H19N3O.C17H19N3.C11H16N2.C7H6N2/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;2*1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14;1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10;1-6-7(5-8)3-2-4-9-6/h2-9,16H,10-11,13H2,1H3;2-9,16,21H,10-13H2,1H3;2-9,13,16H,10-12H2,1H3;2-8,16H,9-12H2,1H3;2-6,11-12H,7-9H2,1H3;2-4H,1H3
• InChIKey: MOBGMRXIROHSJH-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 190.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.85
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?

The IUPAC name of 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (CID 159622448) is 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

What is the SMILES notation for 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?

The canonical SMILES for 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is CN1CCN(c2ncccc2C#N)C(c2ccccc2)C1.CN1CCN(c2ncccc2C=O)C(c2ccccc2)C1.CN1CCN(c2ncccc2CO)C(c2ccccc2)C1.CN1CCN2c3ncccc3Cc3ccccc3C2C1.CN1CCNC(c2ccccc2)C1.Cc1ncccc1C#N.

What is the InChIKey of 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?

The InChIKey is MOBGMRXIROHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4.C17H21N3O.C17H19N3O.C17H19N3.C11H16N2.C7H6N2/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14;2*1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14;1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20;1-13-8-7-12-11(9-13)10-5-3-2-4-6-10;1-6-7(5-8)3-2-4-9-6/h2-9,16H,10-11,13H2,1H3;2-9,16,21H,10-13H2,1H3;2-9,13,16H,10-12H2,1H3;2-8,16H,9-12H2,1H3;2-6,11-12H,7-9H2,1H3;2-4H,1H3.

What are the key properties of 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?

1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene has a molecular weight of 1402.85 g/mol, XLogP of 11.90, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-phenylpiperazine;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbaldehyde;2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol;2-methylpyridine-3-carbonitrile;5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is sourced from PubChem (CID 159622448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).