3-(3-methylpiperidin-1-yl)propan-1-amine

• ChemBase ID: 11555
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CCC1)C)CCCN
• Canonical SMILES: NCCCN1CCCC(C1)C
• InChI: InChI=1S/C9H20N2/c1-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8,10H2,1H3
• InChIKey: ADIQUBKLXXCKLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methylpiperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(3-methylpiperidin-1-yl)propan-1-amine
• Synonyms: 3-(3-Methyl-piperidin-1-yl)-propylamine; 3-(3-methyl-1-piperidinyl)-1-propanamine; 3-(3-methylpiperidin-1-yl)propan-1-amine

Database IDs

• CAS Number: 14156-91-3
• MDL Number: MFCD03445120
• PubChem SID: 160974862
• PubChem CID: 33069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.18074
• LogD (pH = 7.4): -3.1275733
• Log P: 0.66848433
• Molar Refractivity: 49.4169 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.487

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%