1-(thiophen-2-yl)piperidin-4-amine

• ChemBase ID: 236688
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: c1(N2CCC(CC2)N)sccc1
• Canonical SMILES: NC1CCN(CC1)c1cccs1
• InChI: InChI=1S/C9H14N2S/c10-8-3-5-11(6-4-8)9-2-1-7-12-9/h1-2,7-8H,3-6,10H2
• InChIKey: QWGSAJHNEKGBAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(thiophen-2-yl)piperidin-4-amine
• Synonyms: 1-(thiophen-2-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD16074672
• PubChem SID: 164292598
• PubChem CID: 61680712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7805605
• LogD (pH = 7.4): -1.2463607
• Log P: 1.2389054
• Molar Refractivity: 52.1341 cm^3
• Polarizability: 20.113453 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.761

Product Information

• Purity: 95%