dimethyl({[4-(piperidin-4-yloxy)phenyl]methyl})amine

• ChemBase ID: 15371
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1CCC(Oc2ccc(CN(C)C)cc2)CC1
• Canonical SMILES: CN(Cc1ccc(cc1)OC1CCNCC1)C
• InChI: InChI=1S/C14H22N2O/c1-16(2)11-12-3-5-13(6-4-12)17-14-7-9-15-10-8-14/h3-6,14-15H,7-11H2,1-2H3
• InChIKey: QXYPWVQHTNTJKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[4-(piperidin-4-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[4-(piperidin-4-yloxy)phenyl]methyl})amine
• Synonyms: N,N-Dimethyl[4-(4-piperidinyloxy)phenyl]-methanamine

Database IDs

• MDL Number: MFCD06247270
• PubChem SID: 160978678
• PubChem CID: 26188588

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.9096003
• LogD (pH = 7.4): -2.3988762
• Log P: 1.4007295
• Molar Refractivity: 71.2203 cm^3
• Polarizability: 28.079508 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false