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159874-20-1 | 1-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
CAS No: 159874-20-1 Catalog No: AG001RGN MDL No:MFCD08704702
Product Description
Catalog Number:
AG001RGN
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
CAS Number:
159874-20-1
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD08704702
IUPAC Name:
benzyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)19-15-9-11-20(12-10-15)17(22)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)
InChI Key:
ZMCNVANCFSRGFA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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