1-(piperidin-1-yl)propan-2-amine

• ChemBase ID: 19251
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(N)C)CCCCC1
• Canonical SMILES: CC(CN1CCCCC1)N
• InChI: InChI=1S/C8H18N2/c1-8(9)7-10-5-3-2-4-6-10/h8H,2-7,9H2,1H3
• InChIKey: ZFDABCDCTKLGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(piperidin-1-yl)propan-2-amine
• Synonyms: 1-Methyl-2-piperidin-1-yl-ethylamine; 1-methyl-2-piperidin-1-ylethylamine

Database IDs

• CAS Number: 34217-60-2
• MDL Number: MFCD01318922
• PubChem SID: 160982558
• PubChem CID: 118143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4201937
• LogD (pH = 7.4): -2.1682398
• Log P: 0.6601268
• Molar Refractivity: 44.4987 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.192

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%