3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride

• ChemBase ID: 132723
• Molecular Formular: C14H22ClNO
• Molecular Mass: 255.78358
• Monoisotopic Mass: 255.13899201
• SMILES: CCCN1CCC[C@@H](C1)c1cccc(c1)O.Cl
• Canonical SMILES: CCCN1CCC[C@@H](C1)c1cccc(c1)O.Cl
• InChI: InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m0./s1
• InChIKey: NRHUDETYKUBQJT-ZOWNYOTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
• IUPAC Traditional name: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
• Synonyms: R(+)-3-PPP hydrochloride; R(+)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride

Database IDs

• CAS Number: 89874-80-6
• MDL Number: MFCD00055194
• PubChem SID: 162227000; 24277924
• PubChem CID: 202477

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 10.280098
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2470566
• LogD (pH = 7.4): 1.0989674
• Log P: 2.67092
• Molar Refractivity: 67.9502 cm^3
• Polarizability: 26.406725 Å^3
• Polar Surface Area: 23.47 Å^2

PROPERTIES

Physical Property

• Solubility: ethanol: slightly soluble; H2O: soluble150 mg/mL
• Apperance: white solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... DRD2(1813)

DETAILS

Sigma Aldrich - P102

Preparation Note
Solutions should be freshly prepared.
Legal Information
Sold with the permission of Astra Pharmaceutical Co.
Biochem/physiol Actions
D2 dopamine receptor agonist. Also functions as σ1 receptor antagonist with essentially no affinity for the phencylidine site on the NMDA receptor.