CID 52364666
PubChem CID
52364666
Structure
Molecular Formula
Status
Non-live
Molecular Weight
240.75 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
1-[(4-chlorophenyl)methyl]-4-methoxypiperidin-1-ium
InChI=1S/C13H18ClNO/c1-16-13-6-8-15(9-7-13)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3/p+1
FBCAWURUPVKXCN-UHFFFAOYSA-O
COC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl
C13H19ClNO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
240.75 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
240.1155169 g/mol
Property Name
Monoisotopic Mass
Property Value
240.1155169 g/mol
Property Name
Topological Polar Surface Area
Property Value
13.7 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
196
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
Old substance
CONTENTS