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1241231-81-1 | 1-Piperidinecarboxylic acid, 4-[[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1241231-81-1 Catalog No: AG000LLI MDL No:MFCD18141253
Product Description
Catalog Number:
AG000LLI
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1241231-81-1
Molecular Formula:
C19H26N2O5
Molecular Weight:
362.4201
MDL Number:
MFCD18141253
IUPAC Name:
tert-butyl 4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)21-10-8-13(9-11-21)20-17(22)16-12-24-14-6-4-5-7-15(14)25-16/h4-7,13,16H,8-12H2,1-3H3,(H,20,22)
InChI Key:
DMDXWNQGHKUAOF-UHFFFAOYSA-N
SMILES:
O=C(C1COc2c(O1)cccc2)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.426g/mol
Monoisotopic Mass:
362.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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