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1169563-99-8 | 1-Piperidinecarboxylic acid, 4-(5-amino-1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
CAS No: 1169563-99-8 Catalog No: AG000DEP MDL No:MFCD16618570
Product Description
Catalog Number:
AG000DEP
Chemical Name:
1-Piperidinecarboxylic acid, 4-(5-amino-1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
CAS Number:
1169563-99-8
Molecular Formula:
C13H22N4O2
Molecular Weight:
266.3394
MDL Number:
MFCD16618570
IUPAC Name:
tert-butyl 4-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-6-4-9(5-7-17)10-8-11(14)16-15-10/h8-9H,4-7H2,1-3H3,(H3,14,15,16)
InChI Key:
RPOLHXPGLRUGBT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1n[nH]c(c1)N)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.345g/mol
Monoisotopic Mass:
266.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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