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4-Hydroxy-1- (2-phenylethyl) piperidine

CAT: 0804-HY-W318577-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W318577-01Size:1 mg
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Description
4-Hydroxy-1- (2-phenylethyl) piperidine is a building block that has been used in the synthesis of ligands of the muscarinic acetylcholine receptor (mAChR) or sigma non-opioid intracellular receptor 1 (σ1 receptor) .
CAS Number
3518-76-1
UNSPSC
12352005
Hazard Statement
H302
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/4-hydroxy-1-2-phenylethyl-piperidine.html
Smiles
C1=CC=C(C=C1)CCN2CCC(CC2)O
Molecular Formula
C13H19NO
Molecular Weight
205.30
Precautions
P264-P270-P330-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(2-Phenylethyl)-4-piperidinol
CAS Number3518-76-1
PubChem CID77055
IUPAC Name1-(2-phenylethyl)piperidin-4-ol
Molecular FormulaC13H19NO
Molecular Weight205.30
XLogP2.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity169
SMILES
C1CN(CCC1O)CCC2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey
KYGMSTKBHJVPJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Phenylethyl)-4-piperidinol
CAS: 3518-76-1
CID: 77055
Formula: C13H19NO
MW: 205.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.30
XLogP32.1
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