CID 29057581
PubChem CID
29057581
Structure
Molecular Formula
Status
Non-live
Molecular Weight
261.4 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-[(3-methylphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium
InChI=1S/C17H28N2/c1-4-17(5-2)19-11-9-18(10-12-19)14-16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3/p+1
QEGNHGFHVYAJAU-UHFFFAOYSA-O
CCC(CC)[NH+]1CCN(CC1)CC2=CC=CC(=C2)C
C17H29N2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
261.4 g/mol
Property Name
XLogP3-AA
Property Value
3.8
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
5
Property Name
Exact Mass
Property Value
261.233073934 g/mol
Property Name
Monoisotopic Mass
Property Value
261.233073934 g/mol
Property Name
Topological Polar Surface Area
Property Value
7.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
242
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