octahydro-1H-cyclopenta[b]pyridine hydrochloride

• ChemBase ID: 264890
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: N1C2C(CCC2)CCC1.Cl
• Canonical SMILES: C1CNC2C(C1)CCC2.Cl
• InChI: InChI=1S/C8H15N.ClH/c1-3-7-4-2-6-9-8(7)5-1;/h7-9H,1-6H2;1H
• InChIKey: LVDMFAHMZIFQTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1H-cyclopenta[b]pyridine hydrochloride
• IUPAC Traditional name: octahydro-1H-cyclopenta[b]pyridine hydrochloride
• Synonyms: octahydro-1H-cyclopenta[b]pyridine hydrochloride

Database IDs

• MDL Number: MFCD00465820
• PubChem SID: 164320800
• PubChem CID: 2831833

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7384104
• LogD (pH = 7.4): -1.4295968
• Log P: 1.4978321
• Molar Refractivity: 38.4476 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.808

Product Information

• Purity: 95%