RefChem:295872

[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride

Also Known As: 4-Piperidinol, 5-dibutylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride|5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate dihydrochloride|[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride|4-Piperidinol, 5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-, 4-nitrobenzoate (ester), dihydrochloride|4-Piperidinol,5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-, 4-(4-nitrobenzoate),hydrochloride (1:2)|5-[(Dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl 4-nitrobenzoate--hydrogen chloride (1/2)

Molecular Formula	C30H45Cl2N3O4
Molecular Weight	581.2787 g/mol
LogP	7.1232
Topological Polar Surface Area	78.6 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	581.2787
Monoisotopic Mass	581.2787
Heavy Atoms	39
Complexity	721.0

Chemical Identifiers

CAS Number	33809-52-8
SMILES	CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C.Cl.Cl
InChIKey	QSQPKGMKDLPMON-UHFFFAOYSA-N