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Compound EN300-62400

CAT: 0931-TPL0526-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0526-01Size:200 mg
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CAS Number
113759-96-9
Bioactivity
Compound EN300-62400, with CAS No. 113759-96-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-62400 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
Clc1ccc(cc1)N1CCC(=O)CC1
Molecular Formula
C11H12ClNO
Molecular Weight
209.672
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Chlorophenyl)piperidin-4-one
CAS Number113759-96-9
PubChem CID14212774
IUPAC Name1-(4-chlorophenyl)piperidin-4-one
Molecular FormulaC11H12ClNO
Molecular Weight209.67
XLogP2.1
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity201
SMILES
C1CN(CCC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO/c12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4H,5-8H2
InChIKey
SUPUBCWGOUYLIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophenyl)piperidin-4-one
CAS: 113759-96-9
CID: 14212774
Formula: C11H12ClNO
MW: 209.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.67
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass209.0607417
Monoisotopic Mass209.0607417
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity201
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

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