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1299488-98-4 | 1-Piperidinecarboxylic acid, 4-(5-amino-1H-indazol-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1299488-98-4 Catalog No: AG000TSZ MDL No:
Product Description
Catalog Number:
AG000TSZ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(5-amino-1H-indazol-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1299488-98-4
Molecular Formula:
C17H24N4O2
Molecular Weight:
316.3981
IUPAC Name:
tert-butyl 4-(5-aminoindazol-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-8-6-14(7-9-20)21-15-5-4-13(18)10-12(15)11-19-21/h4-5,10-11,14H,6-9,18H2,1-3H3
InChI Key:
JVVPRYBLBBOMTA-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cnn2C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.405g/mol
Monoisotopic Mass:
316.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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