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Home > Indoles and Oxindole > 749206-16-4
749206-16-4 | 2-(Piperidin-4-ylmethyl)isoindolin-1-one
CAS No: 749206-16-4 Catalog No: AG01EXA1 MDL No:
Product Description
Catalog Number:
AG01EXA1
Chemical Name:
2-(Piperidin-4-ylmethyl)isoindolin-1-one
CAS Number:
749206-16-4
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
2-(piperidin-4-ylmethyl)-3H-isoindol-1-one
InChI:
InChI=1S/C14H18N2O/c17-14-13-4-2-1-3-12(13)10-16(14)9-11-5-7-15-8-6-11/h1-4,11,15H,5-10H2
InChI Key:
XMCQKFLXTPENLA-UHFFFAOYSA-N
SMILES:
O=C1N(CC2CCNCC2)Cc2c1cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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