[4-(piperidin-1-ylmethyl)phenyl]methanamine

• ChemBase ID: 18535
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(Cc2ccc(cc2)CN)CCCCC1
• Canonical SMILES: NCc1ccc(cc1)CN1CCCCC1
• InChI: InChI=1S/C13H20N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2
• InChIKey: ZFGDDEAKGXWYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidin-1-ylmethyl)phenyl]methanamine
• IUPAC Traditional name: [4-(piperidin-1-ylmethyl)phenyl]methanamine
• Synonyms: 4-Piperidin-1-ylmethyl-benzylamine; [4-(Piperidinomethyl)phenyl]methylamine; 4-[(Piperidin-1-yl)methyl]benzylamine 97%; 1-[4-(piperidin-1-ylmethyl)phenyl]methanamine

Database IDs

• CAS Number: 91271-81-7
• MDL Number: MFCD07345530
• PubChem SID: 160981842
• PubChem CID: 5200292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3917327
• LogD (pH = 7.4): -1.9739865
• Log P: 1.8907771
• Molar Refractivity: 65.2161 cm^3
• Polarizability: 25.595196 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.121

Safety Information

• Storage Warning: IRRITANT; Toxic/Air Sensitive
• TSCA Listed: false

Product Information

• Purity: 95%