N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

C48H59N3O4 — CID 142905993

About N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine

N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (PubChem CID 142905993) has the molecular formula C48H59N3O4 and a molecular weight of 742.02 g/mol. Its IUPAC name is N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
• PubChem CID: 142905993
• Molecular Formula: C48H59N3O4
• Molecular Weight: 742.02 g/mol
• Exact Mass: 741.45
• IUPAC Name: N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
• SMILES: CCCc1cc(-c2cc(CN3CCC(N(Cc4cccc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(OCC)cc4)CC3)ccn2)cc(OC)c1C
• InChI: InChI=1S/C48H59N3O4/c1-8-12-37-28-41(31-46(52-5)34(37)4)45-27-36(20-23-49-45)32-50-24-21-43(22-25-50)51(42-16-18-44(19-17-42)55-10-3)33-35-14-11-15-38(26-35)40-29-39(13-9-2)48(54-7)47(30-40)53-6/h11,14-20,23,26-31,43H,8-10,12-13,21-22,24-25,32-33H2,1-7H3
• InChIKey: PDELCDLRQNJHAA-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 56.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.02
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The IUPAC name of N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine (CID 142905993) is N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine.

What is the SMILES notation for N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The canonical SMILES for N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is CCCc1cc(-c2cc(CN3CCC(N(Cc4cccc(-c5cc(CCC)c(OC)c(OC)c5)c4)c4ccc(OCC)cc4)CC3)ccn2)cc(OC)c1C.

What is the InChIKey of N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

The InChIKey is PDELCDLRQNJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59N3O4/c1-8-12-37-28-41(31-46(52-5)34(37)4)45-27-36(20-23-49-45)32-50-24-21-43(22-25-50)51(42-16-18-44(19-17-42)55-10-3)33-35-14-11-15-38(26-35)40-29-39(13-9-2)48(54-7)47(30-40)53-6/h11,14-20,23,26-31,43H,8-10,12-13,21-22,24-25,32-33H2,1-7H3.

What are the key properties of N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine?

N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 742.02 g/mol, XLogP of 10.72, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(3,4-dimethoxy-5-propylphenyl)phenyl]methyl]-N-(4-ethoxyphenyl)-1-[[2-(3-methoxy-4-methyl-5-propylphenyl)-4-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 142905993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).