N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride

C42H48Cl3N3 — CID 160932241

About N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride

N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (PubChem CID 160932241) has the molecular formula C42H48Cl3N3 and a molecular weight of 701.23 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
• PubChem CID: 160932241
• Molecular Formula: C42H48Cl3N3
• Molecular Weight: 701.23 g/mol
• Exact Mass: 699.29
• IUPAC Name: N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
• SMILES: Cc1cc(-c2cccc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(Cl)cc4)CC3)c2)cc(C)c1C.Cl.Cl
• InChI: InChI=1S/C42H46ClN3.2ClH/c1-28-20-37(21-29(2)32(28)5)36-9-7-8-34(24-36)26-45-18-15-41(16-19-45)46(40-12-10-39(43)11-13-40)27-35-14-17-44-42(25-35)38-22-30(3)33(6)31(4)23-38;;/h7-14,17,20-25,41H,15-16,18-19,26-27H2,1-6H3;2*1H
• InChIKey: NGDIKXNFFGSJDM-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.23
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?

The IUPAC name of N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (CID 160932241) is N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.

What is the SMILES notation for N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?

The canonical SMILES for N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is Cc1cc(-c2cccc(CN3CCC(N(Cc4ccnc(-c5cc(C)c(C)c(C)c5)c4)c4ccc(Cl)cc4)CC3)c2)cc(C)c1C.Cl.Cl.

What is the InChIKey of N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?

The InChIKey is NGDIKXNFFGSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46ClN3.2ClH/c1-28-20-37(21-29(2)32(28)5)36-9-7-8-34(24-36)26-45-18-15-41(16-19-45)46(40-12-10-39(43)11-13-40)27-35-14-17-44-42(25-35)38-22-30(3)33(6)31(4)23-38;;/h7-14,17,20-25,41H,15-16,18-19,26-27H2,1-6H3;2*1H.

What are the key properties of N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride?

N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 701.23 g/mol, XLogP of 11.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 160932241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).