tert-butyl 4-aminopiperidine-1-carboxylate hydrochloride

• ChemBase ID: 69596
• Molecular Formular: C10H21ClN2O2
• Molecular Mass: 236.73894
• Monoisotopic Mass: 236.1291556
• SMILES: N1(CCC(CC1)N)C(=O)OC(C)(C)C.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;/h8H,4-7,11H2,1-3H3;1H
• InChIKey: KLOQZAJAQQKCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-aminopiperidine-1-carboxylate hydrochloride
• IUPAC Traditional name: tert-butyl 4-aminopiperidine-1-carboxylate hydrochloride
• Synonyms: tert-Butyl 4-amino-1-piperidinecarboxylate hydrochloride; 4-Amino-1-Boc-piperidine hydrochloride; 1-Boc-4-aminopiperidine hydrochloride; 1-Boc-4-aMino-piperidine hydrochloride; 4-氨基-1-哌啶甲酸叔丁酯 盐酸盐; 1-叔丁氧羰基-4-氨基哌啶 盐酸盐

Database IDs

• CAS Number: 189819-75-8
• MDL Number: MFCD01321014
• PubChem SID: 24886848; 162035322
• PubChem CID: 2756033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7163312
• LogD (pH = 7.4): -2.1473374
• Log P: 0.3014924
• Molar Refractivity: 55.0703 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: ≥97.0% (N); 95+%; 97%
• Empirical Formula (Hill Notation): C10H20N2O2 · HCl

DETAILS

Sigma Aldrich - 75578

Packaging
500 mg in poly bottle