1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 34915
• Molecular Formular: C12H20N2S
• Molecular Mass: 224.3656
• Monoisotopic Mass: 224.13471965
• SMILES: N1(CCC(NCc2sccc2)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)NCc1cccs1
• InChI: InChI=1S/C12H20N2S/c1-2-14-7-5-11(6-8-14)13-10-12-4-3-9-15-12/h3-4,9,11,13H,2,5-8,10H2,1H3
• InChIKey: FFNDHYTUTXELJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-Ethyl-N-(thien-2-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11161084
• PubChem SID: 160998222
• PubChem CID: 25219570

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1923218
• LogD (pH = 7.4): -0.77258277
• Log P: 1.8280901
• Molar Refractivity: 66.3956 cm^3
• Polarizability: 26.037949 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false