tert-butyl 2-(piperidin-3-yl)acetate hydrochloride

• ChemBase ID: 237964
• Molecular Formular: C11H22ClNO2
• Molecular Mass: 235.75088
• Monoisotopic Mass: 235.13390663
• SMILES: C(=O)(OC(C)(C)C)CC1CNCCC1.Cl
• Canonical SMILES: O=C(OC(C)(C)C)CC1CCCNC1.Cl
• InChI: InChI=1S/C11H21NO2.ClH/c1-11(2,3)14-10(13)7-9-5-4-6-12-8-9;/h9,12H,4-8H2,1-3H3;1H
• InChIKey: GPIYJSZTKINSPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(piperidin-3-yl)acetate hydrochloride
• IUPAC Traditional name: tert-butyl 2-(piperidin-3-yl)acetate hydrochloride
• Synonyms: tert-butyl 2-(piperidin-3-yl)acetate hydrochloride

Database IDs

• MDL Number: MFCD22375313
• PubChem SID: 164293874
• PubChem CID: 71756051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8604534
• LogD (pH = 7.4): -1.0130191
• Log P: 1.3466411
• Molar Refractivity: 56.1481 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.65

Product Information

• Purity: 95%