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1313712-70-7 | 4-Piperidinecarboxylic acid, 1-[3-[[(1,1-dimethylethoxy)carbonyl]methylamino]propyl]-, ethyl ester
CAS No: 1313712-70-7 Catalog No: AG000W1K MDL No:
Product Description
Catalog Number:
AG000W1K
Chemical Name:
4-Piperidinecarboxylic acid, 1-[3-[[(1,1-dimethylethoxy)carbonyl]methylamino]propyl]-, ethyl ester
CAS Number:
1313712-70-7
Molecular Formula:
C17H32N2O4
Molecular Weight:
328.4470
IUPAC Name:
ethyl 1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]piperidine-4-carboxylate
InChI:
InChI=1S/C17H32N2O4/c1-6-22-15(20)14-8-12-19(13-9-14)11-7-10-18(5)16(21)23-17(2,3)4/h14H,6-13H2,1-5H3
InChI Key:
GZOVZIMHCUQXPE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCN(CC1)CCCNCC(=O)OC(C)(C)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.236g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.453g/mol
Monoisotopic Mass:
328.236g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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