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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine

C123H155ClN20O7 — CID 158547800

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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine (PubChem CID 158547800) has the molecular formula C123H155ClN20O7 and a molecular weight of 2061.18 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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
• PubChem CID: 158547800
• Molecular Formula: C123H155ClN20O7
• Molecular Weight: 2061.18 g/mol
• Exact Mass: 2059.21
• 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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
• SMILES: CCN1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1.CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.COc1cc(CN2CCN(CCN3CCCC3)CC2)ccc1OCc1ccc(Cl)cc1.COc1cc(CNC2CCN(Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C.c1ccc(CN2CCN(c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)CC2)cc1
• InChI: InChI=1S/C26H32N6.C26H33N3O3.C25H34ClN3O2.C25H30N4O2.C21H26N4/c1-3-7-23(8-4-1)21-29-13-17-31(18-14-29)25-11-12-27-26(28-25)32-19-15-30(16-20-32)22-24-9-5-2-6-10-24;1-19-24(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;1-30-25-18-22(6-9-24(25)31-20-21-4-7-23(26)8-5-21)19-29-16-14-28(15-17-29)13-12-27-10-2-3-11-27;1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23;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/h1-12H,13-22H2;4-10,15,23,27H,11-14,16-18H2,1-3H3;4-9,18H,2-3,10-17,19-20H2,1H3;3-9,16,18,21,26H,2,10-15,17H2,1H3;3-10,16,18,22H,2,11-15H2,1H3
• InChIKey: HPINQXJXNRDHOX-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 211.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.18
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine (CID 158547800) 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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1.CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)CC1.COc1cc(CN2CCN(CCN3CCCC3)CC2)ccc1OCc1ccc(Cl)cc1.COc1cc(CNC2CCN(Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C.c1ccc(CN2CCN(c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine?

The InChIKey is HPINQXJXNRDHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6.C26H33N3O3.C25H34ClN3O2.C25H30N4O2.C21H26N4/c1-3-7-23(8-4-1)21-29-13-17-31(18-14-29)25-11-12-27-26(28-25)32-19-15-30(16-20-32)22-24-9-5-2-6-10-24;1-19-24(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;1-30-25-18-22(6-9-24(25)31-20-21-4-7-23(26)8-5-21)19-29-16-14-28(15-17-29)13-12-27-10-2-3-11-27;1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23;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/h1-12H,13-22H2;4-10,15,23,27H,11-14,16-18H2,1-3H3;4-9,18H,2-3,10-17,19-20H2,1H3;3-9,16,18,21,26H,2,10-15,17H2,1H3;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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine has a molecular weight of 2061.18 g/mol, XLogP of 19.38, 35 rotatable bonds, 3 hydrogen bond donors, and 27 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;2,4-bis(4-benzylpiperazin-1-yl)pyrimidine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 158547800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).