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1785642-46-7

1785642-46-7 | 1-​piperidinecarboxylic acid, 3-​[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​-​5-​hydroxy-​, phenylmethyl ester

CAS No: 1785642-46-7 Catalog No: AG00265A MDL No:MFCD26727374

Product Description

Catalog Number:
AG00265A
Chemical Name:
1-​piperidinecarboxylic acid, 3-​[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​-​5-​hydroxy-​, phenylmethyl ester
CAS Number:
1785642-46-7
Molecular Formula:
C18H26N2O5
Molecular Weight:
350.4094
MDL Number:
MFCD26727374
IUPAC Name:
benzyl 3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O5/c1-18(2,3)25-16(22)19-14-9-15(21)11-20(10-14)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3,(H,19,22)
InChI Key:
DMECQHMKXNXZRV-UHFFFAOYSA-N
SMILES:
OC1CC(NC(=O)OC(C)(C)C)CN(C1)C(=O)OCc1ccccc1

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.184g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.415g/mol
Monoisotopic Mass:
350.184g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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