CID 25732641
PubChem CID
25732641
Structure
Molecular Formula
Status
Non-live
Molecular Weight
274.33 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
1-[(2R)-2-phenylbutanoyl]piperidine-4-carboxylate
InChI=1S/C16H21NO3/c1-2-14(12-6-4-3-5-7-12)15(18)17-10-8-13(9-11-17)16(19)20/h3-7,13-14H,2,8-11H2,1H3,(H,19,20)/p-1/t14-/m1/s1
VQYMTYIUURUESB-CQSZACIVSA-M
CC[C@H](C1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)[O-]
C16H20NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
274.33 g/mol
Property Name
XLogP3-AA
Property Value
2.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
274.14431850 g/mol
Property Name
Monoisotopic Mass
Property Value
274.14431850 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
336
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