tert-butyl 4-(aminomethyl)-4-(morpholin-4-yl)piperidine-1-carboxylate

• ChemBase ID: 282498
• Molecular Formular: C15H29N3O3
• Molecular Mass: 299.40906
• Monoisotopic Mass: 299.2208918
• SMILES: C(=O)(N1CCC(N2CCOCC2)(CC1)CN)OC(C)(C)C
• Canonical SMILES: NCC1(CCN(CC1)C(=O)OC(C)(C)C)N1CCOCC1
• InChI: InChI=1S/C15H29N3O3/c1-14(2,3)21-13(19)17-6-4-15(12-16,5-7-17)18-8-10-20-11-9-18/h4-12,16H2,1-3H3
• InChIKey: VPFDWBMMKZSUDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(aminomethyl)-4-(morpholin-4-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(aminomethyl)-4-(morpholin-4-yl)piperidine-1-carboxylate
• Synonyms: tert-butyl 4-(aminomethyl)-4-(morpholin-4-yl)piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD18089616
• PubChem SID: 180668029
• PubChem CID: 50986426

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.0956624
• LogD (pH = 7.4): -1.6958435
• Log P: 0.025405167
• Molar Refractivity: 82.0535 cm^3
• Polarizability: 32.558033 Å^3
• Polar Surface Area: 68.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.114

Product Information

• Purity: 95%