1-(piperidine-3-carbonyl)-2,3-dihydro-1H-indole hydrochloride

• ChemBase ID: 48983
• Molecular Formular: C14H19ClN2O
• Molecular Mass: 266.76646
• Monoisotopic Mass: 266.11859092
• SMILES: N1(C(=O)C2CNCCC2)c2c(CC1)cccc2.Cl
• Canonical SMILES: O=C(N1CCc2c1cccc2)C1CCCNC1.Cl
• InChI: InChI=1S/C14H18N2O.ClH/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16;/h1-2,4,6,12,15H,3,5,7-10H2;1H
• InChIKey: HVFKYGAIAVBHGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidine-3-carbonyl)-2,3-dihydro-1H-indole hydrochloride
• IUPAC Traditional name: 1-(piperidine-3-carbonyl)-2,3-dihydroindole hydrochloride
• Synonyms: 2,3-Dihydro-1H-indol-1-yl(3-piperidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562217
• PubChem SID: 162053746
• PubChem CID: 56831929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.811535
• LogD (pH = 7.4): -0.7926813
• Log P: 1.3743961
• Molar Refractivity: 67.6241 cm^3
• Polarizability: 26.325693 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false