4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine

• ChemBase ID: 284144
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N1(C2CCNCC2)CC=CC1
• Canonical SMILES: N1CCC(CC1)N1CC=CC1
• InChI: InChI=1S/C9H16N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h1-2,9-10H,3-8H2
• InChIKey: JVDTWAMFTGWSKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
• IUPAC Traditional name: 4-(2,5-dihydropyrrol-1-yl)piperidine
• Synonyms: 4-(2,5-dihydro-1H-pyrrol-1-yl)piperidine

Database IDs

• MDL Number: MFCD20502081
• PubChem SID: 180669675
• PubChem CID: 54595885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.492091
• LogD (pH = 7.4): -3.2787309
• Log P: 0.18961838
• Molar Refractivity: 48.4941 cm^3
• Polarizability: 18.68366 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.06

Product Information

• Purity: 95%