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Compound Fr13067

CAT: 0931-Fr13067-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13067-01Size:200 mg
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CAS Number
91271-62-4
Bioactivity
Compound Fr13067, with CAS No. 91271-62-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13067 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
OCC1=CC=C(CN2CCCCC2)C=C1
Molecular Formula
C13H19NO
Molecular Weight
205.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(Piperidin-1-yl)methyl]benzyl alcohol
CAS Number91271-62-4
PubChem CID7162041
IUPAC Name[4-(piperidin-1-ylmethyl)phenyl]methanol
Molecular FormulaC13H19NO
Molecular Weight205.30
XLogP1.7
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)CO
InChI
InChI=1S/C13H19NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,15H,1-3,8-11H2
InChIKey
SQWKPHFBCVNPGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(Piperidin-1-yl)methyl]benzyl alcohol
CAS: 91271-62-4
CID: 7162041
Formula: C13H19NO
MW: 205.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.30
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.146664230
Monoisotopic Mass205.146664230
Topological Polar Surface Area23.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity169
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
Fr13367-01Compound Fr13367
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Fr13767-01Compound Fr13767
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Fr13047-01Compound Fr13047
Fr13167-01Compound Fr13167
Fr13068-01Compound Fr13068
Fr13267-01Compound Fr13267
Fr13064-01Compound Fr13064

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HY-14176-01Compound E
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MBS3613444-01Compound W
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