AG001SO4

162046-56-2 | 4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid

AG001SO4

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CAS Number	162046-56-2
Catalog Number	AG001SO4(AGN-PC-0KL70B)
Chemical Name	4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid
IUPAC Name	4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
InChI	InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-10-8-14(9-11-18)22-13-6-4-12(5-7-13)15(19)20/h4-7,14H,8-11H2,1-3H3,(H,19,20)
InChI Key	LUVXDMFUUZGFST-UHFFFAOYSA-N
MDL Number	MFCD06658985
Molecular Formula	C17H23NO5
Molecular Weight	321.3682
SMILES	O=C(O)C1=CC=C(OC2CCN(C(OC(C)(C)C)=O)CC2)C=C1
Synonyms	162046-56-2, 4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoic acid, 4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}benzoic Acid, 4-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)benzoic acid, 4-{[1-(tert-butoxycarbonyl)-4-piperidinyl]oxy}benzoic acid, 4-[[1-(TERT-BUTOXYCARBONYL)-4-PIPERIDINYL]OXY]BENZOIC ACID, 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid, 4-(1-Boc-4-piperidyloxy)benzoic acid, AC1MDRKW, CHEMBL115300, SCHEMBL1649132, CTK7G2849, DTXSID50383294, LUVXDMFUUZGFST-UHFFFAOYSA-N, ZINC4287350, ZX-AT018596, ANW-47631, MFCD06658985, OR0798, SBB052811, AKOS007930897, AJ-50232, AK-32075, BC679908, BR-32075, EN002402, 4-(1-(Boc)piperidin-4-yloxy)benzoic acid, AB0022623, AX8093134, ST2405301, TC-136376, FT-0743302, W3527, S-5484, 4-(4-Carboxyphenoxy)piperidine, N-BOC protected, 4-(1-t-butoxycarbonyl-4-piperidyloxy)benzoic acid, 4((1-t-Butoxycarbonyl)4-piperadinyl)oxybenzoic acid, A1-03197, I14-10757, 4-{1-[(tert-butyl)oxycarbonyl]-4-piperidyloxy}benzoic acid, 4-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}oxy)benzoic acid, 1-Piperidinecarboxylic acid, 4-(4-carboxyphenoxy)-, 1-(1,1-dimethylethyl) ester, C17H23NO5, CID2794649, 4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)benzoicacid, 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidyl]oxy]benzoic Acid,

Complexity	415
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.158g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	321.373g/mol
Monoisotopic Mass	321.158g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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