3-[(cyclobutylmethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 47427
• Molecular Formular: C11H22ClNO
• Molecular Mass: 219.75148
• Monoisotopic Mass: 219.13899201
• SMILES: N1CC(COCC2CCC2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)COCC1CCC1.Cl
• InChI: InChI=1S/C11H21NO.ClH/c1-3-10(4-1)8-13-9-11-5-2-6-12-7-11;/h10-12H,1-9H2;1H
• InChIKey: VAGMWAYUZGAXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(cyclobutylmethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 3-[(cyclobutylmethoxy)methyl]piperidine hydrochloride
• Synonyms: Cyclobutylmethyl 3-piperidinylmethyl ether hydrochloride

Database IDs

• MDL Number: MFCD13561285
• PubChem SID: 162052190
• PubChem CID: 56831297

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7336211
• LogD (pH = 7.4): -1.2186807
• Log P: 1.4956111
• Molar Refractivity: 54.4311 cm^3
• Polarizability: 21.75466 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false