1-(prop-2-en-1-yl)piperidin-4-amine

• ChemBase ID: 271114
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(CCC(CC1)N)CC=C
• Canonical SMILES: C=CCN1CCC(CC1)N
• InChI: InChI=1S/C8H16N2/c1-2-5-10-6-3-8(9)4-7-10/h2,8H,1,3-7,9H2
• InChIKey: NCPWHRHPZQELNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(prop-2-en-1-yl)piperidin-4-amine
• Synonyms: 1-(prop-2-en-1-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11586522
• PubChem SID: 164327024
• PubChem CID: 18002016

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3064556
• LogD (pH = 7.4): -3.2373078
• Log P: 0.13259709
• Molar Refractivity: 44.5326 cm^3
• Polarizability: 17.577856 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0020

Product Information

• Purity: 95%