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Compound PDK0382

CAT: 0931-PDK0382-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0382-02Size:200 mg
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CAS Number
87179-40-6
Bioactivity
Compound PDK0382, with CAS No. 87179-40-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0382 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
C(\C=C\C1=CC=CC=C1)N1CCNCC1
Molecular Formula
C13H18N2
Molecular Weight
202.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Cinnamylpiperazine
CAS Number87179-40-6
PubChem CID726896
IUPAC Name1-[(E)-3-phenylprop-2-enyl]piperazine
Molecular FormulaC13H18N2
Molecular Weight202.30
XLogP1.7
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity189
SMILES
C1CN(CCN1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+
InChIKey
WGEIOMTZIIOUMA-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of 1-Cinnamylpiperazine
CAS: 87179-40-6
CID: 726896
Formula: C13H18N2
MW: 202.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.30
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass202.146998583
Monoisotopic Mass202.146998583
Topological Polar Surface Area15.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PDK0352-01Compound PDK0352
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PDK0332-01Compound PDK0332
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PDK0342-01Compound PDK0342
PDK0282-01Compound PDK0282
PDK0388-01Compound PDK0388
PDK0322-01Compound PDK0322
PDK0362-01Compound PDK0362
PDK0383-01Compound PDK0383

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HY-14176-01Compound E
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2573-5Compound 112254
MBS3613444-01Compound W
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