CID 51621272
PubChem CID
51621272
Structure
Molecular Formula
Status
Non-live
Molecular Weight
344.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-cycloheptyl-2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]acetamide
InChI=1S/C21H33N3O/c1-18-7-6-8-19(15-18)16-23-11-13-24(14-12-23)17-21(25)22-20-9-4-2-3-5-10-20/h6-8,15,20H,2-5,9-14,16-17H2,1H3,(H,22,25)/p+1
OYFYEXYBFGHQSE-UHFFFAOYSA-O
CC1=CC(=CC=C1)C[NH+]2CCN(CC2)CC(=O)NC3CCCCCC3
C21H34N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
344.5 g/mol
Property Name
XLogP3-AA
Property Value
3.6
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
5
Property Name
Exact Mass
Property Value
344.270187717 g/mol
Property Name
Monoisotopic Mass
Property Value
344.270187717 g/mol
Property Name
Topological Polar Surface Area
Property Value
36.8 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
398
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
Old substance
CONTENTS