4-(4-methylpiperidin-1-yl)butan-1-amine

• ChemBase ID: 258385
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(CC1)C)CCCCN
• Canonical SMILES: NCCCCN1CCC(CC1)C
• InChI: InChI=1S/C10H22N2/c1-10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-9,11H2,1H3
• InChIKey: FJNFRGONJYTZEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(4-methylpiperidin-1-yl)butan-1-amine
• Synonyms: 4-(4-methylpiperidin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD06446885
• PubChem SID: 164314295
• PubChem CID: 7138415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.335846
• LogD (pH = 7.4): -3.807696
• Log P: 1.1078933
• Molar Refractivity: 54.1385 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.43

Product Information

• Purity: 95%