N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine

C69H84ClN11O3 — CID 162049403

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine (PubChem CID 162049403) has the molecular formula C69H84ClN11O3 and a molecular weight of 1150.96 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine
• PubChem CID: 162049403
• Molecular Formula: C69H84ClN11O3
• Molecular Weight: 1150.96 g/mol
• Exact Mass: 1149.64
• IUPAC Name: N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine
• SMILES: CCN1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1.COc1cc(CNC2CCN(Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C.Clc1ccc(CN2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)cc1
• InChI: InChI=1S/C26H33N3O3.C22H25ClN4.C21H26N4/c1-19-24(20(2)32-28-19)18-31-25-10-9-22(15-26(25)30-3)16-27-23-11-13-29(14-12-23)17-21-7-5-4-6-8-21;23-20-5-1-19(2-6-20)16-26-12-9-21(10-13-26)25-15-18-3-7-22(8-4-18)27-14-11-24-17-27;1-2-24-13-11-18(12-14-24)22-15-17-7-9-19(10-8-17)25-16-23-20-5-3-4-6-21(20)25/h4-10,15,23,27H,11-14,16-18H2,1-3H3;1-8,11,14,17,21,25H,9-10,12-13,15-16H2;3-10,16,18,22H,2,11-15H2,1H3
• InChIKey: YYIRJLINCOCSIF-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 125.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1150.96
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine?

The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine (CID 162049403) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine.

What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine?

The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine is CCN1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1.COc1cc(CNC2CCN(Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C.Clc1ccc(CN2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)cc1.

What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine?

The InChIKey is YYIRJLINCOCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3.C22H25ClN4.C21H26N4/c1-19-24(20(2)32-28-19)18-31-25-10-9-22(15-26(25)30-3)16-27-23-11-13-29(14-12-23)17-21-7-5-4-6-8-21;23-20-5-1-19(2-6-20)16-26-12-9-21(10-13-26)25-15-18-3-7-22(8-4-18)27-14-11-24-17-27;1-2-24-13-11-18(12-14-24)22-15-17-7-9-19(10-8-17)25-16-23-20-5-3-4-6-21(20)25/h4-10,15,23,27H,11-14,16-18H2,1-3H3;1-8,11,14,17,21,25H,9-10,12-13,15-16H2;3-10,16,18,22H,2,11-15H2,1H3.

What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine?

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 1150.96 g/mol, XLogP of 12.51, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethylpiperidin-4-amine;1-benzyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]piperidin-4-amine;1-[(4-chlorophenyl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 162049403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).