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1160247-77-7 | Spiro[piperidine-4,3'(2'H)-quinoline]-1-carboxylic acid, 1',4'-dihydro-, 1,1-dimethylethyl ester
CAS No: 1160247-77-7 Catalog No: AG000BF4 MDL No:MFCD12198639
Product Description
Catalog Number:
AG000BF4
Chemical Name:
Spiro[piperidine-4,3'(2'H)-quinoline]-1-carboxylic acid, 1',4'-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1160247-77-7
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD12198639
IUPAC Name:
tert-butyl spiro[2,4-dihydro-1H-quinoline-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-14-6-4-5-7-15(14)19-13-18/h4-7,19H,8-13H2,1-3H3
InChI Key:
WADUXZCOHAHPFB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CNc1c(C2)cccc1)OC(C)(C)C
Properties
Complexity:
408
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:
3.4
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