1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine

C87H123Cl6N19O2 — CID 157389551

About 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine

1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 157389551) has the molecular formula C87H123Cl6N19O2 and a molecular weight of 1679.79 g/mol. Its IUPAC name is 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 157389551
• Molecular Formula: C87H123Cl6N19O2
• Molecular Weight: 1679.79 g/mol
• Exact Mass: 1675.82
• IUPAC Name: 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine
• SMILES: C.C.C.C.CN(c1nc(Nc2ccc(OCc3ccccc3)c(Cl)c2)nc(NC2CCCCCC2)n1)C1CCNCC1.CN1CCC(N(C)c2nc(Nc3ccc(OCc4ccccc4)c(Cl)c3)nc(NC3CCCCCC3)n2)CC1.CNC1CCN(C)CC1.Cc1ccc(Cc2ccccc2)c(Cl)c1.Clc1nc(Cl)nc(Cl)n1
• InChI: InChI=1S/C30H40ClN7O.C29H38ClN7O.C14H13Cl.C7H16N2.C3Cl3N3.4CH4/c1-37-18-16-25(17-19-37)38(2)30-35-28(32-23-12-8-3-4-9-13-23)34-29(36-30)33-24-14-15-27(26(31)20-24)39-21-22-10-6-5-7-11-22;1-37(24-15-17-31-18-16-24)29-35-27(32-22-11-7-2-3-8-12-22)34-28(36-29)33-23-13-14-26(25(30)19-23)38-20-21-9-5-4-6-10-21;1-11-7-8-13(14(15)9-11)10-12-5-3-2-4-6-12;1-8-7-3-5-9(2)6-4-7;4-1-7-2(5)9-3(6)8-1;;;;/h5-7,10-11,14-15,20,23,25H,3-4,8-9,12-13,16-19,21H2,1-2H3,(H2,32,33,34,35,36);4-6,9-10,13-14,19,22,24,31H,2-3,7-8,11-12,15-18,20H2,1H3,(H2,32,33,34,35,36);2-9H,10H2,1H3;7-8H,3-6H2,1-2H3;;4*1H4
• InChIKey: BLVKXZXGFNOVFO-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 219.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.79
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine (CID 157389551) is 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine is C.C.C.C.CN(c1nc(Nc2ccc(OCc3ccccc3)c(Cl)c2)nc(NC2CCCCCC2)n1)C1CCNCC1.CN1CCC(N(C)c2nc(Nc3ccc(OCc4ccccc4)c(Cl)c3)nc(NC3CCCCCC3)n2)CC1.CNC1CCN(C)CC1.Cc1ccc(Cc2ccccc2)c(Cl)c1.Clc1nc(Cl)nc(Cl)n1.

What is the InChIKey of 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine?

The InChIKey is BLVKXZXGFNOVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40ClN7O.C29H38ClN7O.C14H13Cl.C7H16N2.C3Cl3N3.4CH4/c1-37-18-16-25(17-19-37)38(2)30-35-28(32-23-12-8-3-4-9-13-23)34-29(36-30)33-24-14-15-27(26(31)20-24)39-21-22-10-6-5-7-11-22;1-37(24-15-17-31-18-16-24)29-35-27(32-22-11-7-2-3-8-12-22)34-28(36-29)33-23-13-14-26(25(30)19-23)38-20-21-9-5-4-6-10-21;1-11-7-8-13(14(15)9-11)10-12-5-3-2-4-6-12;1-8-7-3-5-9(2)6-4-7;4-1-7-2(5)9-3(6)8-1;;;;/h5-7,10-11,14-15,20,23,25H,3-4,8-9,12-13,16-19,21H2,1-2H3,(H2,32,33,34,35,36);4-6,9-10,13-14,19,22,24,31H,2-3,7-8,11-12,15-18,20H2,1H3,(H2,32,33,34,35,36);2-9H,10H2,1H3;7-8H,3-6H2,1-2H3;;4*1H4.

What are the key properties of 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine?

1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1679.79 g/mol, XLogP of 21.60, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-chloro-4-methylbenzene;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;6-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine;N,1-dimethylpiperidin-4-amine;methane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 157389551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).