1-(cyclopentylmethyl)piperazine hydrochloride

• ChemBase ID: 293027
• Molecular Formular: C10H21ClN2
• Molecular Mass: 204.74014
• Monoisotopic Mass: 204.13932636
• SMILES: Cl.C(C1CCCC1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)CC1CCCC1.Cl
• InChI: InChI=1S/C10H20N2.ClH/c1-2-4-10(3-1)9-12-7-5-11-6-8-12;/h10-11H,1-9H2;1H
• InChIKey: AGRRYQRKCOGWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(cyclopentylmethyl)piperazine hydrochloride
• Synonyms: 1-(Cyclopentylmethyl)piperazine hydrochloride

Database IDs

• CAS Number: 1215167-72-8
• PubChem SID: 180678558
• PubChem CID: 70700927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0954316
• LogD (pH = 7.4): -1.1956916
• Log P: 1.3239557
• Molar Refractivity: 51.8875 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%