1-(1-methylpiperidin-4-yl)piperazine

• ChemBase ID: 34352
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: C1C(CCN(C1)C)N1CCNCC1
• Canonical SMILES: CN1CCC(CC1)N1CCNCC1
• InChI: InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3
• InChIKey: OHUMKYGINIODOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)piperazine
• Synonyms: 1-(1-Methylpiperidin-4-yl)piperazine; 1-(1-Methylpiperidin-4-yl)piperazine 98%; 1-Methyl-4-piperazinopiperidine; 1-(1-Methyl-4-piperidinyl)piperazine; 1-Methyl-4-piperazinylpiperidine; 1-甲基-4-哌嗪基哌啶; 1-(1-甲基-4-哌啶基)哌嗪; 1-(1-甲基-4-哌啶)哌嗪

Database IDs

• CAS Number: 23995-88-2
• MDL Number: MFCD01075186
• PubChem SID: 160997659; 24886157
• PubChem CID: 566324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.5718303
• LogD (pH = 7.4): -3.80939
• 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: 29-32°C
• Refractive Index: 1.508; n20/D 1.508

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%
• Empirical Formula (Hill Notation): C10H21N3

DETAILS

Sigma Aldrich - 71277

Packaging
1 g in poly tube
5 g in poly bottle