CID 39305225
PubChem CID
39305225
Structure
Molecular Formula
Status
Non-live
Molecular Weight
303.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-piperazin-4-ium-1-ylmethanone
InChI=1S/C18H27N3O/c1-15-6-10-20(11-7-15)14-16-2-4-17(5-3-16)18(22)21-12-8-19-9-13-21/h2-5,15,19H,6-14H2,1H3/p+2
HFUIJFLWWSRMQI-UHFFFAOYSA-P
CC1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CC[NH2+]CC3
C18H29N3O+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
303.4 g/mol
Property Name
XLogP3-AA
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
303.231062557 g/mol
Property Name
Monoisotopic Mass
Property Value
303.231062557 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.4 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
351
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