CID 29955606
PubChem CID
29955606
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.36 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol
InChI=1S/C17H20N2O/c20-16-8-6-14(7-9-16)13-19-11-2-1-5-17(19)15-4-3-10-18-12-15/h3-4,6-10,12,17,20H,1-2,5,11,13H2/p+1/t17-/m0/s1
SUWVCQVCKCEUSC-KRWDZBQOSA-O
C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC3=CC=C(C=C3)O
C17H21N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.36 g/mol
Property Name
XLogP3
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
269.165388298 g/mol
Property Name
Monoisotopic Mass
Property Value
269.165388298 g/mol
Property Name
Topological Polar Surface Area
Property Value
37.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
289
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