dimethyl[3-(piperidin-4-yl)propyl]amine

• ChemBase ID: 245581
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1CCC(CCCN(C)C)CC1
• Canonical SMILES: CN(CCCC1CCNCC1)C
• InChI: InChI=1S/C10H22N2/c1-12(2)9-3-4-10-5-7-11-8-6-10/h10-11H,3-9H2,1-2H3
• InChIKey: PQBXNISKCYCRRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(piperidin-4-yl)propyl]amine
• IUPAC Traditional name: dimethyl[3-(piperidin-4-yl)propyl]amine
• Synonyms: dimethyl[3-(piperidin-4-yl)propyl]amine

Database IDs

• MDL Number: MFCD16693192
• PubChem SID: 164301491
• PubChem CID: 12747032

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.5618076
• LogD (pH = 7.4): -4.0288534
• Log P: 1.105712
• Molar Refractivity: 54.2415 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%