bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride

C195H267Cl3N24O19Si3 — CID 157262796

IUPACbis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)ccc23)CC1.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCNCC3)noc12.Cl.Cl.Cl
InChIInChI=1S/C32H56N2O5Si2.C31H45N3O4Si.2C29H34N4O.C27H36N4O3.C25H31N3O4.C22H28N4O.3ClH/c1-30(2,3)37-29(35)34-20-18-23(19-21-34)14-16-26-24-15-17-27(39-41(12,13)32(7,8)9)25(28(24)38-33-26)22-36-40(10,11)31(4,5)6;1-30(2,3)37-29(35)34-19-15-22(16-20-34)9-12-27-25-11-10-24(23-13-17-32-18-14-23)26(28(25)38-33-27)21-36-39(7,8)31(4,5)6;2*1-32(2)21-27-25(24-12-16-30-17-13-24)9-10-26-28(31-34-29(26)27)11-8-22-14-18-33(19-15-22)20-23-6-4-3-5-7-23;1-27(2,3)33-26(32)31-16-12-19(13-17-31)6-9-24-22-8-7-21(20-10-14-28-15-11-20)23(18-30(4)5)25(22)34-29-24;1-25(2,3)31-24(30)28-14-10-17(11-15-28)4-7-22-20-6-5-19(18-8-12-26-13-9-18)21(16-29)23(20)32-27-22;1-26(2)15-20-18(17-9-13-24-14-10-17)4-5-19-21(25-27-22(19)20)6-3-16-7-11-23-12-8-16;;;/h15,17,23H,14,16,18-22H2,1-13H3;10-11,13-14,17-18,22H,9,12,15-16,19-21H2,1-8H3;2*3-7,9-10,12-13,16-17,22H,8,11,14-15,18-21H2,1-2H3;7-8,10-11,14-15,19H,6,9,12-13,16-18H2,1-5H3;5-6,8-9,12-13,17,29H,4,7,10-11,14-16H2,1-3H3;4-5,9-10,13-14,16,23H,3,6-8,11-12,15H2,1-2H3;3*1H
InChIKeyPETVRHVFQPJCPV-UHFFFAOYSA-N
MW3442.05 g/mol
LogP44.54
Rot. Bonds48

About bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride

bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride (PubChem CID 157262796) has the molecular formula C195H267Cl3N24O19Si3 and a molecular weight of 3442.05 g/mol. Its IUPAC name is bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride.

Molecular Properties

Compound Namebis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride
PubChem CID157262796
Molecular FormulaC195H267Cl3N24O19Si3
Molecular Weight3442.05 g/mol
Exact Mass3437.90
IUPAC Namebis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)ccc23)CC1.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCNCC3)noc12.Cl.Cl.Cl
InChIInChI=1S/C32H56N2O5Si2.C31H45N3O4Si.2C29H34N4O.C27H36N4O3.C25H31N3O4.C22H28N4O.3ClH/c1-30(2,3)37-29(35)34-20-18-23(19-21-34)14-16-26-24-15-17-27(39-41(12,13)32(7,8)9)25(28(24)38-33-26)22-36-40(10,11)31(4,5)6;1-30(2,3)37-29(35)34-19-15-22(16-20-34)9-12-27-25-11-10-24(23-13-17-32-18-14-23)26(28(25)38-33-27)21-36-39(7,8)31(4,5)6;2*1-32(2)21-27-25(24-12-16-30-17-13-24)9-10-26-28(31-34-29(26)27)11-8-22-14-18-33(19-15-22)20-23-6-4-3-5-7-23;1-27(2,3)33-26(32)31-16-12-19(13-17-31)6-9-24-22-8-7-21(20-10-14-28-15-11-20)23(18-30(4)5)25(22)34-29-24;1-25(2,3)31-24(30)28-14-10-17(11-15-28)4-7-22-20-6-5-19(18-8-12-26-13-9-18)21(16-29)23(20)32-27-22;1-26(2)15-20-18(17-9-13-24-14-10-17)4-5-19-21(25-27-22(19)20)6-3-16-7-11-23-12-8-16;;;/h15,17,23H,14,16,18-22H2,1-13H3;10-11,13-14,17-18,22H,9,12,15-16,19-21H2,1-8H3;2*3-7,9-10,12-13,16-17,22H,8,11,14-15,18-21H2,1-2H3;7-8,10-11,14-15,19H,6,9,12-13,16-18H2,1-5H3;5-6,8-9,12-13,17,29H,4,7,10-11,14-16H2,1-3H3;4-5,9-10,13-14,16,23H,3,6-8,11-12,15H2,1-2H3;3*1H
InChIKeyPETVRHVFQPJCPV-UHFFFAOYSA-N
XLogP44.54
TPSA457.10 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds48
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003442.05
LogP ≤ 544.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride?
The IUPAC name of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride (CID 157262796) is bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride.
What is the SMILES notation for bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride?
The canonical SMILES for bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride is CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(-c4ccncc4)ccc23)CC1.CC(C)(C)OC(=O)N1CCC(CCc2noc3c(CO[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)ccc23)CC1.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.CN(C)Cc1c(-c2ccncc2)ccc2c(CCC3CCNCC3)noc12.Cl.Cl.Cl.
What is the InChIKey of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride?
The InChIKey is PETVRHVFQPJCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2O5Si2.C31H45N3O4Si.2C29H34N4O.C27H36N4O3.C25H31N3O4.C22H28N4O.3ClH/c1-30(2,3)37-29(35)34-20-18-23(19-21-34)14-16-26-24-15-17-27(39-41(12,13)32(7,8)9)25(28(24)38-33-26)22-36-40(10,11)31(4,5)6;1-30(2,3)37-29(35)34-19-15-22(16-20-34)9-12-27-25-11-10-24(23-13-17-32-18-14-23)26(28(25)38-33-27)21-36-39(7,8)31(4,5)6;2*1-32(2)21-27-25(24-12-16-30-17-13-24)9-10-26-28(31-34-29(26)27)11-8-22-14-18-33(19-15-22)20-23-6-4-3-5-7-23;1-27(2,3)33-26(32)31-16-12-19(13-17-31)6-9-24-22-8-7-21(20-10-14-28-15-11-20)23(18-30(4)5)25(22)34-29-24;1-25(2,3)31-24(30)28-14-10-17(11-15-28)4-7-22-20-6-5-19(18-8-12-26-13-9-18)21(16-29)23(20)32-27-22;1-26(2)15-20-18(17-9-13-24-14-10-17)4-5-19-21(25-27-22(19)20)6-3-16-7-11-23-12-8-16;;;/h15,17,23H,14,16,18-22H2,1-13H3;10-11,13-14,17-18,22H,9,12,15-16,19-21H2,1-8H3;2*3-7,9-10,12-13,16-17,22H,8,11,14-15,18-21H2,1-2H3;7-8,10-11,14-15,19H,6,9,12-13,16-18H2,1-5H3;5-6,8-9,12-13,17,29H,4,7,10-11,14-16H2,1-3H3;4-5,9-10,13-14,16,23H,3,6-8,11-12,15H2,1-2H3;3*1H.
What are the key properties of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride?
bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride has a molecular weight of 3442.05 g/mol, XLogP of 44.54, 48 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-pyridin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);tert-butyl 4-[2-[6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-[7-(hydroxymethyl)-6-pyridin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-4-yl-1,2-benzoxazol-7-yl]methanamine;trihydrochloride is sourced from PubChem (CID 157262796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).