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15142-87-7 | Spiro[isoquinoline-1(2H),4'-piperidin]-3(4H)-one
CAS No: 15142-87-7 Catalog No: AG001NCI MDL No:MFCD19443493
Product Description
Catalog Number:
AG001NCI
Chemical Name:
Spiro[isoquinoline-1(2H),4'-piperidin]-3(4H)-one
CAS Number:
15142-87-7
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD19443493
IUPAC Name:
spiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one
InChI:
InChI=1S/C13H16N2O/c16-12-9-10-3-1-2-4-11(10)13(15-12)5-7-14-8-6-13/h1-4,14H,5-9H2,(H,15,16)
InChI Key:
HPLNLUQJIUYDSU-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C2(N1)CCNCC2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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