[4-(piperidine-1-carbonyl)phenyl]methanamine hydrochloride

• ChemBase ID: 250589
• Molecular Formular: C13H19ClN2O
• Molecular Mass: 254.75576
• Monoisotopic Mass: 254.11859092
• SMILES: C(=O)(N1CCCCC1)c1ccc(cc1)CN.Cl
• Canonical SMILES: NCc1ccc(cc1)C(=O)N1CCCCC1.Cl
• InChI: InChI=1S/C13H18N2O.ClH/c14-10-11-4-6-12(7-5-11)13(16)15-8-2-1-3-9-15;/h4-7H,1-3,8-10,14H2;1H
• InChIKey: RUDJJOSAVRYRNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidine-1-carbonyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(piperidine-1-carbonyl)phenyl]methanamine hydrochloride
• Synonyms: 1-[4-(piperidin-1-ylcarbonyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD07355818
• PubChem SID: 164306499
• PubChem CID: 16336503

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7274568
• LogD (pH = 7.4): -0.69613767
• Log P: 1.2473729
• Molar Refractivity: 65.5452 cm^3
• Polarizability: 25.003603 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 0.752

Product Information

• Purity: 95%
• Salt Data: HCl