4-(pyrrolidin-1-yl)piperidine hydrochloride

• ChemBase ID: 19240
• Molecular Formular: C9H19ClN2
• Molecular Mass: 190.71356
• Monoisotopic Mass: 190.1236763
• SMILES: N1(C2CCNCC2)CCCC1.Cl
• Canonical SMILES: N1CCC(CC1)N1CCCC1.Cl
• InChI: InChI=1S/C9H18N2.ClH/c1-2-8-11(7-1)9-3-5-10-6-4-9;/h9-10H,1-8H2;1H
• InChIKey: SLFFQQYPILXEKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-1-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-(pyrrolidin-1-yl)piperidine hydrochloride
• Synonyms: 4-Pyrrolidin-1-yl-piperidine hydrochloride

Database IDs

• MDL Number: MFCD08741497
• PubChem SID: 160982547
• PubChem CID: 45075209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.8419986
• LogD (pH = 7.4): -3.8280241
• Log P: 0.23972513
• Molar Refractivity: 47.6855 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false