4-(2-methylpiperidin-1-yl)butan-1-amine

• ChemBase ID: 258297
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(C(C)CCCC1)CCCCN
• Canonical SMILES: NCCCCN1CCCCC1C
• InChI: InChI=1S/C10H22N2/c1-10-6-2-4-8-12(10)9-5-3-7-11/h10H,2-9,11H2,1H3
• InChIKey: BGZRDDRSXVZQOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylpiperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(2-methylpiperidin-1-yl)butan-1-amine
• Synonyms: 4-(2-methylpiperidin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD06446882
• PubChem SID: 164314207
• PubChem CID: 16641844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.22507
• LogD (pH = 7.4): -3.8145936
• Log P: 1.2374492
• Molar Refractivity: 54.0087 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%