1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride

• ChemBase ID: 55302
• Molecular Formular: C10H20ClN3O
• Molecular Mass: 233.7383
• Monoisotopic Mass: 233.12948996
• SMILES: C1CN(CC1)C(=O)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)N1CCCC1.Cl
• InChI: InChI=1S/C10H19N3O.ClH/c11-9-3-7-13(8-4-9)10(14)12-5-1-2-6-12;/h9H,1-8,11H2;1H
• InChIKey: MKHNRELCUURGBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(pyrrolidine-1-carbonyl)piperidin-4-amine hydrochloride
• Synonyms: 1-(Pyrrolidin-1-ylcarbonyl)piperidin-4-amine hydrochloride

Database IDs

• CAS Number: 889849-93-8
• MDL Number: MFCD13248785
• PubChem SID: 162060065
• PubChem CID: 50944340

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8699796
• LogD (pH = 7.4): -3.3010113
• Log P: -0.8521543
• Molar Refractivity: 55.6522 cm^3
• Polarizability: 21.566858 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false