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

• ChemBase ID: 37127
• Molecular Formular: C10H16N2S
• Molecular Mass: 196.31244
• Monoisotopic Mass: 196.10341952
• SMILES: N1(Cc2sccc2)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)Cc1cccs1
• InChI: InChI=1S/C10H16N2S/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2
• InChIKey: NQQVCDIEQDMPOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(thiophen-2-ylmethyl)piperidin-4-amine
• Synonyms: 1-(thiophen-2-ylmethyl)piperidin-4-amine; 1-(2-Thienylmethyl)piperidin-4-amine; 1-(2-thienylmethyl)-4-piperidinamine

Database IDs

• CAS Number: 82378-85-6
• MDL Number: MFCD10005762
• PubChem SID: 161000434
• PubChem CID: 17221638

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.375049
• LogD (pH = 7.4): -2.309503
• Log P: 1.0387018
• Molar Refractivity: 56.8724 cm^3
• Polarizability: 22.350176 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%