1-(thiophen-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 274744
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: c1(cscc1)CN1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1cscc1
• InChI: InChI=1S/C10H16N2S/c11-10-1-4-12(5-2-10)7-9-3-6-13-8-9/h3,6,8,10H,1-2,4-5,7,11H2
• InChIKey: NTNFMOPKOCZICX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(thiophen-3-ylmethyl)piperidin-4-amine
• Synonyms: 1-(thiophen-3-ylmethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD11199079
• PubChem SID: 164330654
• PubChem CID: 29009606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2704406
• LogD (pH = 7.4): -2.2591832
• Log P: 0.90626234
• Molar Refractivity: 57.0883 cm^3
• Polarizability: 22.347498 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.828

Product Information

• Purity: 95%