1-methyl-4-(piperidin-4-yl)piperazine hydrochloride

• ChemBase ID: 11633
• Molecular Formular: C10H22ClN3
• Molecular Mass: 219.75478
• Monoisotopic Mass: 219.1502254
• SMILES: N1(C2CCNCC2)CCN(CC1)C.Cl
• Canonical SMILES: CN1CCN(CC1)C1CCNCC1.Cl
• InChI: InChI=1S/C10H21N3.ClH/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: FFXOQCRWOVUFJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-4-yl)piperazine hydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidin-4-yl)piperazine hydrochloride
• Synonyms: 1-Methyl-4-piperidin-4-yl-piperazine hydrochloride; 1-Methyl-4-(piperidin-4-yl)piperazine hydrochloride

Database IDs

• CAS Number: 436099-90-0
• MDL Number: MFCD06801088
• PubChem SID: 160974940
• PubChem CID: 45074780

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.0803022
• LogD (pH = 7.4): -3.7835863
• Log P: -0.31895277
• Molar Refractivity: 56.1946 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%