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713497-65-5 | Methanone, [4-[(4-amino-1-piperidinyl)methyl]phenyl](3-iodophenyl)-
CAS No: 713497-65-5 Catalog No: AG005J2J MDL No:
Product Description
Catalog Number:
AG005J2J
Chemical Name:
Methanone, [4-[(4-amino-1-piperidinyl)methyl]phenyl](3-iodophenyl)-
CAS Number:
713497-65-5
Molecular Formula:
C19H21IN2O
Molecular Weight:
420.2873
IUPAC Name:
[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-(3-iodophenyl)methanone
InChI:
InChI=1S/C19H21IN2O/c20-17-3-1-2-16(12-17)19(23)15-6-4-14(5-7-15)13-22-10-8-18(21)9-11-22/h1-7,12,18H,8-11,13,21H2
InChI Key:
HOVNEYFZXAYBRJ-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)Cc1ccc(cc1)C(=O)c1cccc(c1)I
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.07g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.294g/mol
Monoisotopic Mass:
420.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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