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1289385-77-8 | 1-Piperidinecarboxylic acid, 4-[[1-(2-pyrazinyl)ethoxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289385-77-8 Catalog No: AG000YLD MDL No:MFCD18837543
Product Description
Catalog Number:
AG000YLD
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[1-(2-pyrazinyl)ethoxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289385-77-8
Molecular Formula:
C17H27N3O3
Molecular Weight:
321.4146
MDL Number:
MFCD18837543
IUPAC Name:
tert-butyl 4-(1-pyrazin-2-ylethoxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H27N3O3/c1-13(15-11-18-7-8-19-15)22-12-14-5-9-20(10-6-14)16(21)23-17(2,3)4/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3
InChI Key:
IHEPEGRKHMYCIS-UHFFFAOYSA-N
SMILES:
CC(c1nccnc1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.421g/mol
Monoisotopic Mass:
321.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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