CID 29955645
PubChem CID
29955645
Structure
Molecular Formula
Status
Non-live
Molecular Weight
299.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
5-methoxy-2-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenol
InChI=1S/C18H22N2O2/c1-22-16-8-7-15(18(21)11-16)13-20-10-3-2-6-17(20)14-5-4-9-19-12-14/h4-5,7-9,11-12,17,21H,2-3,6,10,13H2,1H3/p+1/t17-/m0/s1
HMBGMIYYOICRLN-KRWDZBQOSA-O
COC1=CC(=C(C=C1)C[NH+]2CCCC[C@H]2C3=CN=CC=C3)O
C18H23N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.4 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
299.175952981 g/mol
Property Name
Monoisotopic Mass
Property Value
299.175952981 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.8 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
339
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