[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine

• ChemBase ID: 15772
• Molecular Formular: C11H18N2S
• Molecular Mass: 210.33902
• Monoisotopic Mass: 210.11906959
• SMILES: C1C(CCN(C1)Cc1cccs1)CN
• Canonical SMILES: NCC1CCN(CC1)Cc1cccs1
• InChI: InChI=1S/C11H18N2S/c12-8-10-3-5-13(6-4-10)9-11-2-1-7-14-11/h1-2,7,10H,3-6,8-9,12H2
• InChIKey: KZGFXYFQDXOLOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine
• Synonyms: {[1-(2-Thienylmethyl)piperidin-4-yl]methyl}amine; [1-(thien-2-ylmethyl)piperid-4-yl]methylamine; [1-(thiophen-2-ylmethyl)piperidin-4-yl]methanamine; [1-(Thien-2-ylmethyl)piperidin-4-yl]methylamine; 4-(Aminomethyl)-1-(thien-2-ylmethyl)piperidine 97%

Database IDs

• CAS Number: 883541-34-2
• MDL Number: MFCD06801314
• PubChem SID: 160979079
• PubChem CID: 23004745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8512487
• LogD (pH = 7.4): -3.0124183
• Log P: 1.4993025
• Molar Refractivity: 61.6904 cm^3
• Polarizability: 24.193838 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.038
• Hydrophobicity(logP): 1.447

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%