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Compound Fr12765

CAT: 0013-GTR19269839-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269839-01Size:1 mg
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Description
Compound Fr12765, with CAS No. 690631-99-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12765 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.
CAS Number
690631-99-3
Smiles
OCc1ccc (nc1) N1CCCCC1
Molecular Formula
C11H16N2O
Molecular Weight
192.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Piperidin-1-yl-3-(hydroxymethyl)pyridine
CAS Number690631-99-3
PubChem CID2794792
IUPAC Name(6-piperidin-1-yl-3-pyridinyl)methanol
Molecular FormulaC11H16N2O
Molecular Weight192.26
XLogP1.3
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity169
SMILES
C1CCN(CC1)C2=NC=C(C=C2)CO
InChI
InChI=1S/C11H16N2O/c14-9-10-4-5-11(12-8-10)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,9H2
InChIKey
VLAMDMADWWGEDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Piperidin-1-yl-3-(hydroxymethyl)pyridine
CAS: 690631-99-3
CID: 2794792
Formula: C11H16N2O
MW: 192.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.26
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.126263138
Monoisotopic Mass192.126263138
Topological Polar Surface Area36.4 Ų
Heavy Atom Count14
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

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GTR19269863-01Compound Fr12964
GTR19269833-01Compound Fr12753
GTR19269827-01Compound Fr12654
GTR19269817-01Compound Fr12575
GTR19269806-01Compound Fr12469
GTR19269774-01Compound Fr12176

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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