CID 39364164
PubChem CID
39364164
Structure
Molecular Formula
Status
Non-live
Molecular Weight
265.37 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperazin-4-ium
InChI=1S/C15H24N2O2/c1-12(2)19-15-10-13(4-5-14(15)18-3)11-17-8-6-16-7-9-17/h4-5,10,12,16H,6-9,11H2,1-3H3/p+1
ZJVWENXMHXWNSU-UHFFFAOYSA-O
CC(C)OC1=C(C=CC(=C1)CN2CC[NH2+]CC2)OC
C15H25N2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
265.37 g/mol
Property Name
XLogP3
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
265.191603044 g/mol
Property Name
Monoisotopic Mass
Property Value
265.191603044 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
255
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