1-(piperidin-4-ylmethyl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 284793
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: N1(C(=O)CCC1)CC1CCNCC1.Cl
• Canonical SMILES: O=C1CCCN1CC1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9;/h9,11H,1-8H2;1H
• InChIKey: NMKHSQHHAFEVRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-ylmethyl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-ylmethyl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(piperidin-4-ylmethyl)pyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD20731152
• PubChem SID: 180670324
• PubChem CID: 21241491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4728405
• LogD (pH = 7.4): -2.8051798
• Log P: -0.2515743
• Molar Refractivity: 52.129 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.166

Product Information

• Purity: 95%