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1146080-01-4 | 1-Piperidinecarboxylic acid, 3-[4-(1-piperidinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 1146080-01-4 Catalog No: AG000ET8 MDL No:
Product Description
Catalog Number:
AG000ET8
Chemical Name:
1-Piperidinecarboxylic acid, 3-[4-(1-piperidinylcarbonyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
1146080-01-4
Molecular Formula:
C22H32N2O4
Molecular Weight:
388.5005
IUPAC Name:
tert-butyl 3-[4-(piperidine-1-carbonyl)phenoxy]piperidine-1-carboxylate
InChI:
InChI=1S/C22H32N2O4/c1-22(2,3)28-21(26)24-15-7-8-19(16-24)27-18-11-9-17(10-12-18)20(25)23-13-5-4-6-14-23/h9-12,19H,4-8,13-16H2,1-3H3
InChI Key:
IOYYHNVDVUENSX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)Oc1ccc(cc1)C(=O)N1CCCCC1)OC(C)(C)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.236g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.508g/mol
Monoisotopic Mass:
388.236g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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