1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol

• ChemBase ID: 818
• Molecular Formular: C19H29NO
• Molecular Mass: 287.43966
• Monoisotopic Mass: 287.22491455
• SMILES: OC(C1CCCC1)(CCN1CCCCC1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(C1CCCC1)CCN1CCCCC1
• InChI: InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2
• InChIKey: SWRUZBWLEWHWRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
• IUPAC Traditional name: cycrimine
• Brand Name: Pagitane
• Synonyms: Cycrimine hydrochloride; Cycrimine

Database IDs

• CAS Number: 77-39-4
• PubChem SID: 46506736; 160964281
• PubChem CID: 2911

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.84003
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.45616972
• LogD (pH = 7.4): 1.8717896
• Log P: 3.788117
• Molar Refractivity: 88.6042 cm^3
• Polarizability: 34.990223 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 4.15
• LOG S: -4.5
• Solubility (Water): 9.09e-03 g/l

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4

DETAILS

DrugBank - DB00942

• Drug Groups: approved
• Description: Cycrimine is a drug used to reduce levels of acetylcholine to return a balance with dopamine in the treatment and management of Parkinson's disease.
• Indication: For treatment and management of Parkinson's disease.
• Pharmacology: Cycrimine is a central anticholenergic used in the treatment of the symptoms of Parkinson's disease. It is a drug used to reduce levels of acetylcholine. Acetylcholine is usually in balance with dopamine neurotransmitters, however lower levels of dopamine are present in the brain of patients suffering from Parkinson's disease. By lowering levels of acetylcholine, it is thought that this balance may be restored.
• Affected Organisms: Humans and other mammals
• Protein Binding: 14-21%
• References: Vedasiromoni JR, Ganguly DK: Cycrimine on rat diaphragm. Arch Int Pharmacodyn Ther. 1976 Jan;219(1):64-9. [Pubmed]

REFERENCES

• Vedasiromoni JR, Ganguly DK: Cycrimine on rat diaphragm. Arch Int Pharmacodyn Ther. 1976 Jan;219(1):64-9. Pubmed