4-(piperidin-4-yl)morpholine

• ChemBase ID: 24607
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(C2CCNCC2)CCOCC1
• Canonical SMILES: N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
• InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)morpholine
• IUPAC Traditional name: 4-(piperidin-4-yl)morpholine
• Synonyms: 4-(Morpholin-4-yl)piperidine; 4-(Piperidin-4-yl)morpholine 98+%; 4-Piperidin-4-ylmorpholine; 4-(4-Piperidinyl) morpholine; 4-Morpholinopiperidine; 4-(Piperidin-4-yl)Morpholine; 4-Morpholinopiperidine; 4-吗啉哌啶

Database IDs

• CAS Number: 53617-35-9
• MDL Number: MFCD03274733
• PubChem SID: 160987914; 24880906
• PubChem CID: 795724

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6435723
• LogD (pH = 7.4): -3.1279662
• Log P: -0.3845728
• Molar Refractivity: 49.219 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-43 °C(lit.); 40-43°C
• Boiling Point: 100-115 °C/0.15-0.20 mmHg(lit.); 100-115°C/0.15mm

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C9H16N2O

DETAILS

Sigma Aldrich - 578045

Packaging
1, 5 g in glass bottle
Application
Reactant for synthesis of:
• Selective adenosine A2A receptor antagonists1
• Antidepressents2
• Small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells3
• Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation4
• Quinoline derivatives with antimicrobial activity5
• Antimalarials6