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

• ChemBase ID: 31063
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1(c2ccc(cc2)CN)CCCCC1
• Canonical SMILES: NCc1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C12H18N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2
• InChIKey: WROBJEHXMLQDQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(piperidin-1-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(piperidin-1-yl)phenyl]methanamine
• Synonyms: (4-piperidinophenyl)methylamine; [4-(piperidin-1-yl)phenyl]methanamine; (4-(Piperidin-1-yl)phenyl)methanamine; 4-Piperidin-1-yl-benzylamine; 4-(Piperidin-1yl)benzylamine; 1-[4-(Aminomethyl)phenyl]piperidine; [4-(Piperidin-1-yl)phenyl]methylamine

Database IDs

• CAS Number: 214759-73-6
• MDL Number: MFCD06659080
• PubChem SID: 160994370
• PubChem CID: 2795551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0969352
• LogD (pH = 7.4): -0.10902286
• Log P: 2.0574243
• Molar Refractivity: 61.102 cm^3
• Polarizability: 23.346897 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/Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%