CID 51412676
PubChem CID
51412676
Structure
Molecular Formula
Status
Non-live
Molecular Weight
356.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-ethyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
InChI=1S/C19H27F3N2O/c1-3-5-7-15(4-2)18(25)24-12-10-23(11-13-24)17-9-6-8-16(14-17)19(20,21)22/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3/t15-/m1/s1
MEMNLYBKJZHMAJ-OAHLLOKOSA-N
CCCC[C@@H](CC)C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
C19H27F3N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
356.4 g/mol
Property Name
XLogP3-AA
Property Value
5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
356.20754798 g/mol
Property Name
Monoisotopic Mass
Property Value
356.20754798 g/mol
Property Name
Topological Polar Surface Area
Property Value
23.6 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
419
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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