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1146080-05-8 | 1-Piperidinecarboxylic acid, 4-[4-(4-morpholinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 1146080-05-8 Catalog No: AG000ET7 MDL No:
Product Description
Catalog Number:
AG000ET7
Chemical Name:
1-Piperidinecarboxylic acid, 4-[4-(4-morpholinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
1146080-05-8
Molecular Formula:
C21H30N2O5
Molecular Weight:
390.4733
IUPAC Name:
tert-butyl 4-[4-(morpholine-4-carbonyl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C21H30N2O5/c1-21(2,3)28-20(25)23-10-8-18(9-11-23)27-17-6-4-16(5-7-17)19(24)22-12-14-26-15-13-22/h4-7,18H,8-15H2,1-3H3
InChI Key:
WUKAWIWUYOXLOI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)OC(C)(C)C)N1CCOCC1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.48g/mol
Monoisotopic Mass:
390.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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