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857898-70-5 | tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
CAS No: 857898-70-5 Catalog No: AG003UJ2 MDL No:MFCD09959723
Product Description
Catalog Number:
AG003UJ2
Chemical Name:
tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
CAS Number:
857898-70-5
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD09959723
IUPAC Name:
tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
InChI:
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3
InChI Key:
PYRPHEQXDLNURT-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2ccccc2C2(C1)CCNCC2)OC(C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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