1-(1-methylpiperidin-3-yl)piperazine

• ChemBase ID: 274702
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: N1(C2CN(CCC2)C)CCNCC1
• Canonical SMILES: CN1CCCC(C1)N1CCNCC1
• InChI: InChI=1S/C10H21N3/c1-12-6-2-3-10(9-12)13-7-4-11-5-8-13/h10-11H,2-9H2,1H3
• InChIKey: HBGWJGMJKRYBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-3-yl)piperazine
• IUPAC Traditional name: 1-(1-methylpiperidin-3-yl)piperazine
• Synonyms: 1-(1-methylpiperidin-3-yl)piperazine

Database IDs

• MDL Number: MFCD14650580
• PubChem SID: 164330612
• PubChem CID: 17812503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.1215014
• LogD (pH = 7.4): -3.4121304
• Log P: 0.13845016
• Molar Refractivity: 55.9738 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.27

Product Information

• Purity: 95%