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Compound PDK0341

CAT: 0931-PDK0341-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0341-02Size:25 mg
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CAS Number
7006-50-0
Bioactivity
Compound PDK0341, with CAS No. 7006-50-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0341 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
CNC1CCN(CC2=CC=CC=C2)CC1
Molecular Formula
C13H20N2
Molecular Weight
204.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-benzyl-N-methylpiperidin-4-amine
CAS Number7006-50-0
PubChem CID4136128
IUPAC Name1-benzyl-N-methylpiperidin-4-amine
Molecular FormulaC13H20N2
Molecular Weight204.31
XLogP1.9
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity167
SMILES
CNC1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKey
RGEQSTMITLEXKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-benzyl-N-methylpiperidin-4-amine
CAS: 7006-50-0
CID: 4136128
Formula: C13H20N2
MW: 204.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.31
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.162648646
Monoisotopic Mass204.162648646
Topological Polar Surface Area15.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity167
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

CatalogName
PDK0391-01Compound PDK0391
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PDK0346-01Compound PDK0346
PDK0314-01Compound PDK0314
PDK0349-01Compound PDK0349
PDK0344-01Compound PDK0344
PDK0361-01Compound PDK0361
PDK0345-01Compound PDK0345
PDK0342-01Compound PDK0342
PDK0321-01Compound PDK0321

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