1-benzylpiperidin-3-amine

• ChemBase ID: 68148
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: NC1CN(CCC1)Cc1ccccc1
• Canonical SMILES: NC1CCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H18N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2
• InChIKey: HARWNWOLWMTQCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzylpiperidin-3-amine
• IUPAC Traditional name: 1-benzylpiperidin-3-amine
• Synonyms: 1-Benzylpiperidin-3-ylamine; 1-Benzylpiperidin-3-amine; 3-Amino-1-benzylpiperidine; 1-benzylpiperidin-3-amine

Database IDs

• CAS Number: 60407-35-4
• MDL Number: MFCD04038444
• PubChem SID: 162033880
• PubChem CID: 421694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9673986
• LogD (pH = 7.4): -0.83185756
• Log P: 1.5832233
• Molar Refractivity: 59.7617 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.992

Safety Information

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

Product Information

• Purity: 95%; 95+%; 98%