4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen

C53H75Cl3N16 — CID 157241752

About 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen

4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen (PubChem CID 157241752) has the molecular formula C53H75Cl3N16 and a molecular weight of 1042.65 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen.

Molecular Properties

• Compound Name: 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen
• PubChem CID: 157241752
• Molecular Formula: C53H75Cl3N16
• Molecular Weight: 1042.65 g/mol
• Exact Mass: 1040.54
• IUPAC Name: 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen
• SMILES: CCN1CCC(N)CC1.Cc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl.Cc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)n2)cc1Cl.N#N
• InChI: InChI=1S/C29H38ClN7.C17H21Cl2N5.C7H16N2.N2/c1-21-13-14-25(19-26(21)30)33-29-35-27(31-23-11-7-2-3-8-12-23)34-28(36-29)32-24-15-17-37(18-16-24)20-22-9-5-4-6-10-22;1-11-8-9-13(10-14(11)18)21-17-23-15(19)22-16(24-17)20-12-6-4-2-3-5-7-12;1-2-9-5-3-7(8)4-6-9;1-2/h4-6,9-10,13-14,19,23-24H,2-3,7-8,11-12,15-18,20H2,1H3,(H3,31,32,33,34,35,36);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24);7H,2-6,8H2,1H3
• InChIKey: AVHJBWLBOCGNTL-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 217.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1042.65
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen?

The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen (CID 157241752) is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen.

What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen?

The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen is CCN1CCC(N)CC1.Cc1ccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)cc1Cl.Cc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)n2)cc1Cl.N#N.

What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen?

The InChIKey is AVHJBWLBOCGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN7.C17H21Cl2N5.C7H16N2.N2/c1-21-13-14-25(19-26(21)30)33-29-35-27(31-23-11-7-2-3-8-12-23)34-28(36-29)32-24-15-17-37(18-16-24)20-22-9-5-4-6-10-22;1-11-8-9-13(10-14(11)18)21-17-23-15(19)22-16(24-17)20-12-6-4-2-3-5-7-12;1-2-9-5-3-7(8)4-6-9;1-2/h4-6,9-10,13-14,19,23-24H,2-3,7-8,11-12,15-18,20H2,1H3,(H3,31,32,33,34,35,36);8-10,12H,2-7H2,1H3,(H2,20,21,22,23,24);7H,2-6,8H2,1H3;.

What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen?

4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen has a molecular weight of 1042.65 g/mol, XLogP of 12.61, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chloro-4-methylphenyl)-6-N-cycloheptyl-1,3,5-triazine-2,4,6-triamine;6-chloro-4-N-(3-chloro-4-methylphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;1-ethylpiperidin-4-amine;molecular nitrogen is sourced from PubChem (CID 157241752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).