4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride

• ChemBase ID: 143975
• Molecular Formular: C10H24Cl2N2O2
• Molecular Mass: 275.21576
• Monoisotopic Mass: 274.12148338
• SMILES: C1CC(CNC1)CN1CCOCC1.O.Cl.Cl
• Canonical SMILES: C1CCC(CN1)CN1CCOCC1.O.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH.H2O/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12;;;/h10-11H,1-9H2;2*1H;1H2
• InChIKey: GCPVRXVHOMGYNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride
• IUPAC Traditional name: 4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride
• Synonyms: 4-(Piperidin-3-ylmethyl)morpholine dihydrochloride hydrate

Database IDs

• MDL Number: MFCD11841245
• PubChem SID: 162238192
• PubChem CID: 45595287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2335443
• LogD (pH = 7.4): -2.7644305
• Log P: 0.11758468
• Molar Refractivity: 53.9382 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H24Cl2N2O2

DETAILS

Sigma Aldrich - CBR00614

Other Notes
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