CID 51600516
PubChem CID
51600516
Structure
Molecular Formula
Status
Non-live
Molecular Weight
364.5 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[4-(1-benzylpiperidin-4-yl)piperazin-4-ium-1-yl]-phenylmethanone
InChI=1S/C23H29N3O/c27-23(21-9-5-2-6-10-21)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2/p+1
WOSSYFHXDGEEOT-UHFFFAOYSA-O
C1CN(CCC1[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
C23H30N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
364.5 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
364.238887589 g/mol
Property Name
Monoisotopic Mass
Property Value
364.238887589 g/mol
Property Name
Topological Polar Surface Area
Property Value
28 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
454
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