methyl[3-(4-methylpiperidin-1-yl)propyl]amine

• ChemBase ID: 24445
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CCC(CC1)C)CCCNC
• Canonical SMILES: CNCCCN1CCC(CC1)C
• InChI: InChI=1S/C10H22N2/c1-10-4-8-12(9-5-10)7-3-6-11-2/h10-11H,3-9H2,1-2H3
• InChIKey: WTEVUSYBKLMCQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(4-methylpiperidin-1-yl)propyl]amine
• IUPAC Traditional name: methyl[3-(4-methylpiperidin-1-yl)propyl]amine
• Synonyms: N-Methyl-3-(4-methyl-1-piperidinyl)-1-propanamine

Database IDs

• MDL Number: MFCD10687334
• PubChem SID: 160987752
• PubChem CID: 28307127

CALCULATED PROPERTIES

• LogD (pH = 5.5): -5.0273347
• LogD (pH = 7.4): -2.941183
• Log P: 1.023111
• Molar Refractivity: 54.2685 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false