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H1R ligand-1

CAT: 0013-GTR19249275-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249275-01Size:10 mg
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Description
H1R ligand-1 (Compound fragment 1) is a high-affinity scaffold for the human histamine H1 receptor, enabling the synthesis of derivatives for binding kinetics studies. It is a valuable tool for in vitro pharmacological research, including receptor binding and functional assays.
CAS Number
19642-70-7
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C=1C=CC=CC1CC=2C=CC=CC2) C3CCN (C) CC3
Molecular Formula
C19H23NO
Molecular Weight
281.392
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2-Benzylphenoxy)-1-methylpiperidine
CAS Number19642-70-7
PubChem CID134135966
IUPAC Name4-(2-benzylphenoxy)-1-methylpiperidine
Molecular FormulaC19H23NO
Molecular Weight281.4
XLogP4.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity292
SMILES
CN1CCC(CC1)OC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO/c1-20-13-11-18(12-14-20)21-19-10-6-5-9-17(19)15-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3
InChIKey
LNIWSXNZGKUXBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Benzylphenoxy)-1-methylpiperidine
CAS: 19642-70-7
CID: 134135966
Formula: C19H23NO
MW: 281.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass281.177964357
Monoisotopic Mass281.177964357
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity292
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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