CID 26192355
PubChem CID
26192355
Structure
Molecular Formula
Status
Non-live
Molecular Weight
256.36 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2S)-2-(2-naphthalen-1-yloxyethyl)piperidin-1-ium
InChI=1S/C17H21NO/c1-2-9-16-14(6-1)7-5-10-17(16)19-13-11-15-8-3-4-12-18-15/h1-2,5-7,9-10,15,18H,3-4,8,11-13H2/p+1/t15-/m0/s1
GBJFYVRQODIXHX-HNNXBMFYSA-O
C1CC[NH2+][C@@H](C1)CCOC2=CC=CC3=CC=CC=C32
C17H22NO+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.36 g/mol
Property Name
XLogP3-AA
Property Value
4
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
4
Property Name
Exact Mass
Property Value
256.170139325 g/mol
Property Name
Monoisotopic Mass
Property Value
256.170139325 g/mol
Property Name
Topological Polar Surface Area
Property Value
25.8 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
268
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