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

C43H51Cl2N3 — CID 162051714

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

N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (PubChem CID 162051714) has the molecular formula C43H51Cl2N3 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
• PubChem CID: 162051714
• Molecular Formula: C43H51Cl2N3
• Molecular Weight: 680.81 g/mol
• Exact Mass: 679.35
• IUPAC Name: N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
• SMILES: Cc1cccc(N(Cc2ccc(-c3cc(C)c(C)c(C)c3)cc2)C2CCN(Cc3ccnc(-c4cc(C)c(C)c(C)c4)c3)CC2)c1.Cl.Cl
• InChI: InChI=1S/C43H49N3.2ClH/c1-29-9-8-10-42(21-29)46(28-36-11-13-38(14-12-36)39-22-30(2)34(6)31(3)23-39)41-16-19-45(20-17-41)27-37-15-18-44-43(26-37)40-24-32(4)35(7)33(5)25-40;;/h8-15,18,21-26,41H,16-17,19-20,27-28H2,1-7H3;2*1H
• InChIKey: HNDSIWVCLWNNPA-UHFFFAOYSA-N
• XLogP: 11.09
• 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	680.81
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride (CID 162051714) is N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride.

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

The canonical SMILES for N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is Cc1cccc(N(Cc2ccc(-c3cc(C)c(C)c(C)c3)cc2)C2CCN(Cc3ccnc(-c4cc(C)c(C)c(C)c4)c3)CC2)c1.Cl.Cl.

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

The InChIKey is HNDSIWVCLWNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3.2ClH/c1-29-9-8-10-42(21-29)46(28-36-11-13-38(14-12-36)39-22-30(2)34(6)31(3)23-39)41-16-19-45(20-17-41)27-37-15-18-44-43(26-37)40-24-32(4)35(7)33(5)25-40;;/h8-15,18,21-26,41H,16-17,19-20,27-28H2,1-7H3;2*1H.

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

N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 680.81 g/mol, XLogP of 11.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 162051714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).