CID 28213175
PubChem CID
28213175
Structure
Molecular Formula
Status
Non-live
Molecular Weight
261.38 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(2-methylphenyl)-N-[2-[(2S)-piperidin-1-ium-2-yl]ethyl]acetamide
InChI=1S/C16H24N2O/c1-13-6-2-3-7-14(13)12-16(19)18-11-9-15-8-4-5-10-17-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3,(H,18,19)/p+1/t15-/m0/s1
NVZSZZVUMRYROZ-HNNXBMFYSA-O
CC1=CC=CC=C1CC(=O)NCC[C@@H]2CCCC[NH2+]2
C16H25N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
261.38 g/mol
Property Name
XLogP3-AA
Property Value
2.3
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
5
Property Name
Exact Mass
Property Value
261.196688425 g/mol
Property Name
Monoisotopic Mass
Property Value
261.196688425 g/mol
Property Name
Topological Polar Surface Area
Property Value
45.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
280
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
CONTENTS