methyl[2-(piperidin-1-yl)ethyl]amine

• ChemBase ID: 16956
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCNC)CCCCC1
• Canonical SMILES: CNCCN1CCCCC1
• InChI: InChI=1S/C8H18N2/c1-9-5-8-10-6-3-2-4-7-10/h9H,2-8H2,1H3
• InChIKey: KCAUHAHOMIRXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(piperidin-1-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(piperidin-1-yl)ethyl]amine
• Synonyms: N-methyl-2-piperidin-1-ylethanamine; Methyl-(2-piperidin-1-yl-ethyl)-amine

Database IDs

• CAS Number: 41239-39-8
• MDL Number: MFCD07186367
• PubChem SID: 160980263
• PubChem CID: 3157473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0733886
• LogD (pH = 7.4): -1.9867814
• Log P: 0.6761322
• Molar Refractivity: 44.8545 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false