[3-(piperidin-1-yl)phenyl]methanamine

• ChemBase ID: 30822
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2cc(CN)ccc2)CCCCC1
• Canonical SMILES: NCc1cccc(c1)N1CCCCC1
• InChI: InChI=1S/C12H18N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
• InChIKey: BISSHLVDQOLHNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(piperidin-1-yl)phenyl]methanamine
• IUPAC Traditional name: [3-(piperidin-1-yl)phenyl]methanamine
• Synonyms: (3-piperidinophenyl)methylamine; 3-Piperidin-1-yl-benzylamine; (3-Piperidin-1-ylphenyl)methylamine; 3-(Piperidin-1-yl)benzylamine 95%

Database IDs

• CAS Number: 175696-71-6
• MDL Number: MFCD06659082
• PubChem SID: 160994129
• PubChem CID: 2795553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.052121
• LogD (pH = 7.4): -0.09292196
• Log P: 2.0574243
• Molar Refractivity: 61.102 cm^3
• Polarizability: 23.346935 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%