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1146080-55-8 | 1-Piperidinecarboxylic acid, 3-[[4-(1-piperidinylcarbonyl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1146080-55-8 Catalog No: AG000ESZ MDL No:
Product Description
Catalog Number:
AG000ESZ
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[4-(1-piperidinylcarbonyl)phenoxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1146080-55-8
Molecular Formula:
C23H34N2O4
Molecular Weight:
402.5271
IUPAC Name:
tert-butyl 3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)25-15-7-8-18(16-25)17-28-20-11-9-19(10-12-20)21(26)24-13-5-4-6-14-24/h9-12,18H,4-8,13-17H2,1-3H3
InChI Key:
BBQKMEHKTRAOMQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)COc1ccc(cc1)C(=O)N1CCCCC1)OC(C)(C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.252g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.535g/mol
Monoisotopic Mass:
402.252g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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