CID 25794181
PubChem CID
25794181
Structure
Molecular Formula
Status
Non-live
Molecular Weight
277.40 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
1-(4-methoxyphenyl)-4-piperidin-1-ium-4-ylpiperazin-4-ium
InChI=1S/C16H25N3O/c1-20-16-4-2-14(3-5-16)18-10-12-19(13-11-18)15-6-8-17-9-7-15/h2-5,15,17H,6-13H2,1H3/p+2
OXNSCRNFYBZISX-UHFFFAOYSA-P
COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CC[NH2+]CC3
C16H27N3O+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
277.40 g/mol
Property Name
XLogP3-AA
Property Value
2
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
277.215412493 g/mol
Property Name
Monoisotopic Mass
Property Value
277.215412493 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.5 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
277
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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