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

• ChemBase ID: 49097
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2c(CN)cccc2)CCCCC1
• Canonical SMILES: NCc1ccccc1N1CCCCC1
• InChI: InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2
• InChIKey: VNNYEXSABSADDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperidin-1-yl)phenyl]methanamine
• IUPAC Traditional name: [2-(piperidin-1-yl)phenyl]methanamine
• Synonyms: 2-piperidinobenzylamine; 2-Piperidin-1-ylbenzylamine; [2-(piperidin-1-yl)phenyl]methanamine; [2-(1-Piperidinyl)phenyl]methanamine

Database IDs

• CAS Number: 72752-54-6
• MDL Number: MFCD02682071
• PubChem SID: 162053860
• PubChem CID: 2776509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8744101
• LogD (pH = 7.4): 0.39301416
• Log P: 2.0574243
• Molar Refractivity: 61.102 cm^3
• Polarizability: 23.347187 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.452

Safety Information

• Storage Warning: Corrosive/Store under an inert atmosphere; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95%