4-[(cyclopentyloxy)methyl]piperidine hydrochloride

• ChemBase ID: 258473
• Molecular Formular: C11H22ClNO
• Molecular Mass: 219.75148
• Monoisotopic Mass: 219.13899201
• SMILES: N1CCC(COC2CCCC2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)COC1CCCC1.Cl
• InChI: InChI=1S/C11H21NO.ClH/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10;/h10-12H,1-9H2;1H
• InChIKey: WGBXRGKHMXMQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(cyclopentyloxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(cyclopentyloxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(cyclopentyloxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD11817505
• PubChem SID: 164314383
• PubChem CID: 42948573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6478113
• LogD (pH = 7.4): -1.1870567
• Log P: 1.5836103
• Molar Refractivity: 54.4001 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Hydrophobicity(logP): 1.515

Product Information

• Purity: 95%