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1289385-70-1 | 1-Piperidinecarboxylic acid, 3-[[1-(2-pyrazinyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1289385-70-1 Catalog No: AG000YLH MDL No:
Product Description
Catalog Number:
AG000YLH
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[1-(2-pyrazinyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1289385-70-1
Molecular Formula:
C16H26N4O2
Molecular Weight:
306.4032
IUPAC Name:
tert-butyl 3-(1-pyrazin-2-ylethylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H26N4O2/c1-12(14-10-17-7-8-18-14)19-13-6-5-9-20(11-13)15(21)22-16(2,3)4/h7-8,10,12-13,19H,5-6,9,11H2,1-4H3
InChI Key:
ORXZHSMQKOPXPF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)NC(c1cnccn1)C)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.41g/mol
Monoisotopic Mass:
306.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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