(1R)-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

• ChemBase ID: 184787
• Molecular Formular: C14H20ClN
• Molecular Mass: 237.7683
• Monoisotopic Mass: 237.12842733
• SMILES: c12c(C(NCC31CCCC3)C)cccc2.Cl
• Canonical SMILES: CC1NCC2(c3c1cccc3)CCCC2.Cl
• InChI: InChI=1S/C14H19N.ClH/c1-11-12-6-2-3-7-13(12)14(10-15-11)8-4-5-9-14;/h2-3,6-7,11,15H,4-5,8-10H2,1H3;1H
• InChIKey: HMPLHYLXIPLJMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride
• IUPAC Traditional name: (1R)-1'-methyl-2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline] hydrochloride

Database IDs

• PubChem SID: 164240697
• PubChem CID: 18531859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.0149657065
• LogD (pH = 7.4): 1.088013
• Log P: 3.1564434
• Molar Refractivity: 63.3039 cm^3
• Polarizability: 25.101702 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds