1-(thiophen-2-ylmethyl)piperidin-3-amine

• ChemBase ID: 307641
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: N1(Cc2sccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)Cc1cccs1
• InChI: InChI=1S/C10H16N2S/c11-9-3-1-5-12(7-9)8-10-4-2-6-13-10/h2,4,6,9H,1,3,5,7-8,11H2
• InChIKey: UCTGZMSIPDXPBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(thiophen-2-ylmethyl)piperidin-3-amine
• Synonyms: 1-(2-thienylmethyl)-3-piperidinamine

Database IDs

• CAS Number: 933707-95-0
• MDL Number: MFCD11048310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.863888
• LogD (pH = 7.4): -0.8390601
• Log P: 1.4961047
• Molar Refractivity: 56.6516 cm^3
• Polarizability: 22.350176 Å^3
• Polar Surface Area: 29.26 Å^2