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Piperazine ferulate

CAT: 0013-GTR19242997-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242997-02Size:50 mg
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Description
Piperazine ferulate is a natural product compound used in life sciences research. It has been studied in vitro for its potential biological activities and is employed in pharmacological and biochemical experimental models.
CAS Number
171876-65-6
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OCC (CC) CCCC) C=CC1=CC=C (O) C (OC) =C1
Molecular Formula
C18H26O4
Molecular Weight
306.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Piperazine 3-(4-hydroxy-3-methoxyphenyl)acrylate
CAS Number171876-65-6
PubChem CID45108237
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;piperazine
Molecular FormulaC14H20N2O4
Molecular Weight280.32
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity251
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)O.C1CNCCN1
InChI
InChI=1S/C10H10O4.C4H10N2/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;1-2-6-4-3-5-1/h2-6,11H,1H3,(H,12,13);5-6H,1-4H2/b5-3+;
InChIKey
MUQIDFWDLOFXEP-WGCWOXMQSA-N
Chemical Structure
2D Structure
2D structure of Piperazine 3-(4-hydroxy-3-methoxyphenyl)acrylate
CAS: 171876-65-6
CID: 45108237
Formula: C14H20N2O4
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass280.14230712
Monoisotopic Mass280.14230712
Topological Polar Surface Area90.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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