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

• ChemBase ID: 180193
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: N1(CCN)CCCCC1.Cl
• Canonical SMILES: NCCN1CCCCC1.Cl
• InChI: InChI=1S/C7H16N2.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-8H2;1H
• InChIKey: APXACTBZFIKVCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(piperidin-1-yl)ethanamine hydrochloride
• Synonyms: 1-(2'-Aminoethyl)-piperidine hydrochloride

Database IDs

• CAS Number: 27578-60-5
• PubChem SID: 164236103
• PubChem CID: 18441737

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.588164
• LogD (pH = 7.4): -2.294534
• Log P: 0.24355179
• Molar Refractivity: 40.0799 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true