CID 28114219
PubChem CID
28114219
Structure
Molecular Formula
Status
Non-live
Molecular Weight
219.30 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
N-[[(2R)-piperidin-1-ium-2-yl]methyl]benzamide
InChI=1S/C13H18N2O/c16-13(11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16)/p+1/t12-/m1/s1
CQDZPECTECONTE-GFCCVEGCSA-O
C1CC[NH2+][C@H](C1)CNC(=O)C2=CC=CC=C2
C13H19N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
219.30 g/mol
Property Name
XLogP3-AA
Property Value
1.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
219.149738234 g/mol
Property Name
Monoisotopic Mass
Property Value
219.149738234 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.7 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
224
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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