CID 40429381
PubChem CID
40429381
Structure
Molecular Formula
Status
Non-live
Molecular Weight
212.31 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(2S)-2-naphthalen-1-ylpiperidin-1-ium
InChI=1S/C15H17N/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15/h1-2,5-9,15-16H,3-4,10-11H2/p+1/t15-/m0/s1
ZAXNEWZFDOOIHZ-HNNXBMFYSA-O
C1CC[NH2+][C@@H](C1)C2=CC=CC3=CC=CC=C32
C15H18N+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
212.31 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
212.143924578 g/mol
Property Name
Monoisotopic Mass
Property Value
212.143924578 g/mol
Property Name
Topological Polar Surface Area
Property Value
16.6 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
225
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