2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride

• ChemBase ID: 103925
• Molecular Formular: C17H26ClNO
• Molecular Mass: 295.84744
• Monoisotopic Mass: 295.17029214
• SMILES: Cl.OC1CCCCC1N1CCC(CC1)c1ccccc1
• Canonical SMILES: OC1CCCCC1N1CCC(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H
• InChIKey: XJNUHVMJVWOYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride
• IUPAC Traditional name: vesamicol hydrochloride
• Synonyms: (±)-2-(4-Phenylpiperidino)cyclohexanol hydrochloride; AH-5183 hydrochloride; (±)-Vesamicol hydrochloride; AH-5183; (±)-2-(4-Phenylpiperidino) cyclohexanol; (±)-VESAMICOL; D-(+)-VESAMICOL

Database IDs

• CAS Number: 112709-60-1; 120447-62-3
• MDL Number: MFCD00055231
• PubChem SID: 162091080; 24277880
• PubChem CID: 212231

CALCULATED PROPERTIES

• Acid pKa: 14.596863
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2674812
• LogD (pH = 7.4): 0.69691294
• Log P: 3.1857257
• Molar Refractivity: 79.1494 cm^3
• Polarizability: 31.223616 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: aqueous buffers below pH 8: soluble1 mM; DMSO: soluble; ethanol: soluble
• Apperance: white solid

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: GW0765070
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... SLC18A3(6572)

Product Information

• Purity: >98%
• Empirical Formula (Hill Notation): C17H25NO · HCl

DETAILS

MP Biomedicals - 02153589

Hydrochloride

MP Biomedicals - 02153588

Hydrochloride

Sigma Aldrich - V100

Biochem/physiol Actions
Potent inhibitor of vesicular acetylcholine storage.