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3-Piperidin-4-yl-propionic acid

CAT: 0024-sc-283843ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-283843ASize:250 mg
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CAS Number
1822-32-8

Chemical Information

3-(Piperidin-4-yl)propanoic acid
CAS Number1822-32-8
PubChem CID1520806
IUPAC Name3-piperidin-4-ylpropanoic acid
Molecular FormulaC8H15NO2
Molecular Weight157.21
XLogP-1.9
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
C1CNCCC1CCC(=O)O
InChI
InChI=1S/C8H15NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h7,9H,1-6H2,(H,10,11)
InChIKey
AUYQMCCWFNSFGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Piperidin-4-yl)propanoic acid
CAS: 1822-32-8
CID: 1520806
Formula: C8H15NO2
MW: 157.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight157.21
XLogP3-1.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass157.110278721
Monoisotopic Mass157.110278721
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes