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1260763-75-4 | 1-Piperidinecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, phenylmethyl ester
CAS No: 1260763-75-4 Catalog No: AG000R61 MDL No:
Product Description
Catalog Number:
AG000R61
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, phenylmethyl ester
CAS Number:
1260763-75-4
Molecular Formula:
C20H30N2O4
Molecular Weight:
362.4632
IUPAC Name:
benzyl 4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C20H30N2O4/c1-20(2,3)26-18(23)21(4)14-16-10-12-22(13-11-16)19(24)25-15-17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3
InChI Key:
HDWBCKNKWCPFRG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CNCC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.47g/mol
Monoisotopic Mass:
362.221g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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