ethyl[3-(4-methylpiperidin-1-yl)propyl]amine

• ChemBase ID: 24446
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CCC(CC1)C)CCCNCC
• Canonical SMILES: CCNCCCN1CCC(CC1)C
• InChI: InChI=1S/C11H24N2/c1-3-12-7-4-8-13-9-5-11(2)6-10-13/h11-12H,3-10H2,1-2H3
• InChIKey: TZQWHHGMSDUZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(4-methylpiperidin-1-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(4-methylpiperidin-1-yl)propyl]amine
• Synonyms: N-Ethyl-3-(4-methyl-1-piperidinyl)-1-propanamine

Database IDs

• MDL Number: MFCD10687335
• PubChem SID: 160987753
• PubChem CID: 28307129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.582563
• LogD (pH = 7.4): -2.5065994
• Log P: 1.3799189
• Molar Refractivity: 59.0171 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false