(1-benzylpiperidin-4-yl)methanamine

• ChemBase ID: 15829
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: C1C(CCN(C1)Cc1ccccc1)CN
• Canonical SMILES: NCC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-11,14H2
• InChIKey: KNUKUWNSGVICSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-benzylpiperidin-4-yl)methanamine
• Synonyms: [(1-Benzylpiperidin-4-yl)methyl]amine; 1-(1-benzylpiperidin-4-yl)methanamine; (1-benzylpiperidin-4-yl)methanamine; (1-Benzyl-4-piperidinyl)methylamine

Database IDs

• CAS Number: 88915-26-8
• MDL Number: MFCD04116211
• PubChem SID: 160979136
• PubChem CID: 1514444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.814987
• LogD (pH = 7.4): -3.094293
• Log P: 1.5864211
• Molar Refractivity: 64.8005 cm^3
• Polarizability: 25.600323 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.801

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%