CID 28705588
PubChem CID
28705588
Structure
Molecular Formula
Status
Non-live
Molecular Weight
260.76 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-[4-[(2R)-2-chloropropanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
InChI=1S/C12H21ClN2O2/c1-9(13)10(16)14-5-7-15(8-6-14)11(17)12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
YPKUZJYLTPNAKJ-SECBINFHSA-N
C[C@H](C(=O)N1CCN(CC1)C(=O)C(C)(C)C)Cl
C12H21ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
260.76 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
260.1291556 g/mol
Property Name
Monoisotopic Mass
Property Value
260.1291556 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.6 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
304
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
Old substance
CONTENTS