N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 49602
• Molecular Formular: C10H23Cl2N3O
• Molecular Mass: 272.21512
• Monoisotopic Mass: 271.12181773
• SMILES: C(=O)(NCCN(C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CN(CCNC(=O)C1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C10H21N3O.2ClH/c1-13(2)8-7-12-10(14)9-3-5-11-6-4-9;;/h9,11H,3-8H2,1-2H3,(H,12,14);2*1H
• InChIKey: SNRMOBCIOUJLTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride
• Synonyms: N-[2-(Dimethylamino)ethyl]-4-piperidinecarboxamide dihydrochloride; N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride

Database IDs

• CAS Number: 886504-63-8
• MDL Number: MFCD10686831
• PubChem SID: 162054365
• PubChem CID: 42933699

CALCULATED PROPERTIES

• Acid pKa: 16.221764
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.7985053
• LogD (pH = 7.4): -4.4655824
• Log P: -0.6843898
• Molar Refractivity: 57.8133 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): -0.821

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%