methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine

C43H52N4O7 — CID 158522355

About methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine

methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 158522355) has the molecular formula C43H52N4O7 and a molecular weight of 736.91 g/mol. Its IUPAC name is methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
• PubChem CID: 158522355
• Molecular Formula: C43H52N4O7
• Molecular Weight: 736.91 g/mol
• Exact Mass: 736.38
• IUPAC Name: methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
• SMILES: C.COc1ccc(N(Cc2cccnc2-c2cc(OC)c(OC)c(OC)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc1
• InChI: InChI=1S/C42H48N4O7.CH4/c1-47-34-12-10-32(11-13-34)46(27-29-9-8-17-44-40(29)31-24-38(50-4)42(53-7)39(25-31)51-5)33-15-19-45(20-16-33)26-28-14-18-43-35(21-28)30-22-36(48-2)41(52-6)37(23-30)49-3;/h8-14,17-18,21-25,33H,15-16,19-20,26-27H2,1-7H3;1H4
• InChIKey: HMJFLOPNPRUOJL-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 96.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	736.91
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The IUPAC name of methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 158522355) is methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

What is the SMILES notation for methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The canonical SMILES for methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine is C.COc1ccc(N(Cc2cccnc2-c2cc(OC)c(OC)c(OC)c2)C2CCN(Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)CC2)cc1.

What is the InChIKey of methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The InChIKey is HMJFLOPNPRUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N4O7.CH4/c1-47-34-12-10-32(11-13-34)46(27-29-9-8-17-44-40(29)31-24-38(50-4)42(53-7)39(25-31)51-5)33-15-19-45(20-16-33)26-28-14-18-43-35(21-28)30-22-36(48-2)41(52-6)37(23-30)49-3;/h8-14,17-18,21-25,33H,15-16,19-20,26-27H2,1-7H3;1H4.

What are the key properties of methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 736.91 g/mol, XLogP of 8.18, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-(4-methoxyphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 158522355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).