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Home > Imidazoles > 845885-89-4
845885-89-4 | Methanone,[4-(1H-imidazol-1-yl)phenyl]-4-piperidinyl-
CAS No: 845885-89-4 Catalog No: AG008HD1 MDL No:MFCD06658989
Product Description
Catalog Number:
AG008HD1
Chemical Name:
Methanone,[4-(1H-imidazol-1-yl)phenyl]-4-piperidinyl-
CAS Number:
845885-89-4
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
MDL Number:
MFCD06658989
IUPAC Name:
(4-imidazol-1-ylphenyl)-piperidin-4-ylmethanone
InChI:
InChI=1S/C15H17N3O/c19-15(13-5-7-16-8-6-13)12-1-3-14(4-2-12)18-10-9-17-11-18/h1-4,9-11,13,16H,5-8H2
InChI Key:
HMSOFTWOECICPS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1cncc1)C1CCNCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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