2-(1-benzylpiperidin-4-yl)ethan-1-amine hydrochloride

• ChemBase ID: 38285
• Molecular Formular: C14H23ClN2
• Molecular Mass: 254.79882
• Monoisotopic Mass: 254.15497643
• SMILES: N1(Cc2ccccc2)CCC(CC1)CCN.Cl
• Canonical SMILES: NCCC1CCN(CC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C14H22N2.ClH/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14;/h1-5,13H,6-12,15H2;1H
• InChIKey: BLWCMPDSVSEQRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzylpiperidin-4-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(1-benzylpiperidin-4-yl)ethanamine hydrochloride
• Synonyms: 2-(1-Benzyl-piperidin-4-yl)-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09775276
• PubChem SID: 161001592
• PubChem CID: 17245031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4165397
• LogD (pH = 7.4): -2.604914
• Log P: 1.9530361
• Molar Refractivity: 69.4785 cm^3
• Polarizability: 27.44732 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false