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1015609-59-2 | 1-Piperazinecarboxylic acid, 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-, 1,1-dimethylethyl ester
CAS No: 1015609-59-2 Catalog No: AG0004S7 MDL No:MFCD09859117
Product Description
Catalog Number:
AG0004S7
Chemical Name:
1-Piperazinecarboxylic acid, 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-, 1,1-dimethylethyl ester
CAS Number:
1015609-59-2
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
MDL Number:
MFCD09859117
IUPAC Name:
tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)12-10-14-13(18-11-12)4-5-17-14/h4-5,10-11,17H,6-9H2,1-3H3
InChI Key:
IYRPLSBYGVIJGG-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cnc2c(c1)[nH]cc2)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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