CID 42257438
PubChem CID
42257438
Structure
Molecular Formula
Status
Non-live
Molecular Weight
264.27 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
InChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)/p-1/t11-/m0/s1
ISRBHDOSFNPUED-NSHDSACASA-M
C1C[C@@H](CN(C1)C(=O)CC2=CC=C(C=C2)F)C(=O)[O-]
C14H15FNO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
264.27 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
264.10359650 g/mol
Property Name
Monoisotopic Mass
Property Value
264.10359650 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
334
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