About bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 158392930) has the molecular formula C192H281BrCl2N14O27Si2
and a molecular weight of 3424.41 g/mol. Its IUPAC name is bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride (CID 158392930) is bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride is CC(C)(C)[Si](OCC1(CO)CC1)(c1ccccc1)c1ccccc1.COCC1(CBr)CC1.COCC1(CO)CC1.COCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.COCC1(COc2ccc3c(CCC4CCN(C(=O)OC(C)(C)C)CC4)noc3c2CN(C)C)CC1.COCC1(COc2ccc3c(CCC4CCN(C(=O)OC(C)(C)C)CC4)noc3c2CO)CC1.COCC1(COc2ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc3c2CN(C)C)CC1.COCC1(COc2ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc3c2CN(C)C)CC1.COCC1(COc2ccc3c(CCC4CCNCC4)noc3c2CN(C)C)CC1.Cl.Cl.
What is the InChIKey of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is LVEIYICVCNURLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H41N3O3.C28H43N3O5.C26H38N2O6.C23H35N3O3.C22H30O2Si.C21H28O2Si.C6H11BrO.C6H12O2.2ClH/c2*1-32(2)20-26-28(35-22-30(15-16-30)21-34-3)12-10-25-27(31-36-29(25)26)11-9-23-13-17-33(18-14-23)19-24-7-5-4-6-8-24;1-27(2,3)35-26(32)31-15-11-20(12-16-31)7-9-23-21-8-10-24(34-19-28(13-14-28)18-33-6)22(17-30(4)5)25(21)36-29-23;1-25(2,3)33-24(30)28-13-9-18(10-14-28)5-7-21-19-6-8-22(20(15-29)23(19)34-27-21)32-17-26(11-12-26)16-31-4;1-26(2)14-19-21(28-16-23(10-11-23)15-27-3)7-5-18-20(25-29-22(18)19)6-4-17-8-12-24-13-9-17;1-21(2,3)25(19-11-7-5-8-12-19,20-13-9-6-10-14-20)24-18-22(15-16-22)17-23-4;1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-21(16-22)14-15-21;2*1-8-5-6(4-7)2-3-6;;/h2*4-8,10,12,23H,9,11,13-22H2,1-3H3;8,10,20H,7,9,11-19H2,1-6H3;6,8,18,29H,5,7,9-17H2,1-4H3;5,7,17,24H,4,6,8-16H2,1-3H3;5-14H,15-18H2,1-4H3;4-13,22H,14-17H2,1-3H3;2-5H2,1H3;7H,2-5H2,1H3;2*1H.
What are the key properties of bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride?
bis(1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 3424.41 g/mol, XLogP of 35.07, 72 rotatable bonds, 4 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-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-(bromomethyl)-1-(methoxymethyl)cyclopropane;tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol;tert-butyl 4-[2-[7-(hydroxymethyl)-6-[[1-(methoxymethyl)cyclopropyl]methoxy]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;tert-butyl-[[1-(methoxymethyl)cyclopropyl]methoxy]-diphenylsilane;[1-(methoxymethyl)cyclopropyl]methanol;1-[6-[[1-(methoxymethyl)cyclopropyl]methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 158392930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).