tert-butyl N-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)carbamate

• ChemBase ID: 282402
• Molecular Formular: C14H29N3O2
• Molecular Mass: 271.39896
• Monoisotopic Mass: 271.22597718
• SMILES: C(=O)(N(C1CCN(CC1)C)CCCN)OC(C)(C)C
• Canonical SMILES: NCCCN(C(=O)OC(C)(C)C)C1CCN(CC1)C
• InChI: InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17(9-5-8-15)12-6-10-16(4)11-7-12/h12H,5-11,15H2,1-4H3
• InChIKey: VIDSUORMNQIYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)carbamate
• Synonyms: tert-butyl N-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD18089537
• PubChem SID: 180667933
• PubChem CID: 50989002

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.371316
• LogD (pH = 7.4): -2.8769944
• Log P: 0.38009664
• Molar Refractivity: 77.9548 cm^3
• Polarizability: 30.739689 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.602

Product Information

• Purity: 95%