4-(4-benzylpiperidin-1-yl)butan-1-amine

• ChemBase ID: 272795
• Molecular Formular: C16H26N2
• Molecular Mass: 246.39104
• Monoisotopic Mass: 246.20959884
• SMILES: N1(CCC(Cc2ccccc2)CC1)CCCCN
• Canonical SMILES: NCCCCN1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H26N2/c17-10-4-5-11-18-12-8-16(9-13-18)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,17H2
• InChIKey: DWCDIYVGRWHKMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-benzylpiperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(4-benzylpiperidin-1-yl)butan-1-amine
• Synonyms: 4-(4-benzylpiperidin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD09723575
• PubChem SID: 164328705
• PubChem CID: 21993910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7991712
• LogD (pH = 7.4): -2.4832983
• Log P: 2.686266
• Molar Refractivity: 78.8345 cm^3
• Polarizability: 31.063791 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.018

Product Information

• Purity: 95%