1-methyl-4-(piperidin-4-yl)piperazine

• ChemBase ID: 54256
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: C1N(CCN(C1)C1CCNCC1)C
• Canonical SMILES: CN1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C10H21N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h10-11H,2-9H2,1H3
• InChIKey: MRYYJGQKVGZGSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-4-yl)piperazine
• IUPAC Traditional name: 1-methyl-4-(piperidin-4-yl)piperazine
• Synonyms: 1-Methyl-4-piperidin-4-yl-piperazine; 1-Methyl-4-(4-piperidinyl)piperazine; 1-Methyl-4-(piperidin-4-yl)piperazine; 1-Methyl-4-piperidin-4-ylpiperazine; 1-甲基-4-(4-哌啶基)哌嗪

Database IDs

• CAS Number: 53617-36-0
• MDL Number: MFCD03274729
• PubChem SID: 162059019
• PubChem CID: 795707

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.0803022
• LogD (pH = 7.4): -3.7835863
• Log P: -0.31895277
• Molar Refractivity: 56.1946 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

• Melting Point: 53-56°C

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95+%; 97%; 98%