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Compound PDK0215

CAT: 0931-PDK0215-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0215-02Size:100 mg
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CAS Number
4096-20-2
Bioactivity
Compound PDK0215, with CAS No. 4096-20-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0215 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
C1CCN(CC1)c1ccccc1
Molecular Formula
C11H15N
Molecular Weight
161.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Phenylpiperidine
CAS Number4096-20-2
PubChem CID20038
IUPAC Name1-phenylpiperidine
Molecular FormulaC11H15N
Molecular Weight161.24
XLogP3
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity121
SMILES
C1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
LLSKXGRDUPMXLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylpiperidine
CAS: 4096-20-2
CID: 20038
Formula: C11H15N
MW: 161.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.24
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass161.120449483
Monoisotopic Mass161.120449483
Topological Polar Surface Area3.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity121
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

Related Products

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PDK0235-01Compound PDK0235
PDK0115-01Compound PDK0115
PDK0315-01Compound PDK0315
PDK0251-01Compound PDK0251
PDK0225-01Compound PDK0225

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