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

• ChemBase ID: 36936
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1CCCCC1C(C)N
• Canonical SMILES: CC(C1CCCCN1)N
• InChI: InChI=1S/C7H16N2/c1-6(8)7-4-2-3-5-9-7/h6-7,9H,2-5,8H2,1H3
• InChIKey: JBZRHQMTFCUHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(piperidin-2-yl)ethanamine
• Synonyms: (1-Piperidin-2-ylethyl)amine

Database IDs

• MDL Number: MFCD12028047
• PubChem SID: 161000243
• PubChem CID: 21890255

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.7036405
• LogD (pH = 7.4): -2.6431985
• Log P: 0.33684593
• Molar Refractivity: 38.8742 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false