CID 44781516
PubChem CID
44781516
Structure
Molecular Formula
Status
Non-live
Molecular Weight
337.4 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
1-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]phenyl]ethanone
InChI=1S/C21H23NO3/c1-15(23)16-7-9-18(10-8-16)21(24)22-13-11-17(12-14-22)19-5-3-4-6-20(19)25-2/h3-10,17H,11-14H2,1-2H3
NFRZHWIJRRRDRQ-UHFFFAOYSA-N
CC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3OC
C21H23NO3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
337.4 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
337.16779360 g/mol
Property Name
Monoisotopic Mass
Property Value
337.16779360 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.6 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
462
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS