(1-ethylpiperidin-4-yl)methanamine

• ChemBase ID: 101747
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)CN)CC
• Canonical SMILES: NCC1CCN(CC1)CC
• InChI: InChI=1S/C8H18N2/c1-2-10-5-3-8(7-9)4-6-10/h8H,2-7,9H2,1H3
• InChIKey: ZLODGCYXZYPQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-ethylpiperidin-4-yl)methanamine
• Synonyms: 1-(1-ethyl-4-piperidinyl)methanamine; (1-ethyl-4-piperidinyl)methanamine; (1-ethylpiperidin-4-yl)methanamine

Database IDs

• CAS Number: 21168-71-8
• MDL Number: MFCD05022431
• PubChem SID: 162087144
• PubChem CID: 2794704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2465377
• LogD (pH = 7.4): -4.7882485
• Log P: 0.21875596
• Molar Refractivity: 44.9365 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): 0.542

Product Information

• Purity: 95%; 95+%; 97%