1-(adamantan-2-yl)piperazine

• ChemBase ID: 24560
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: C12C(C3CC(C2)CC(C1)C3)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)C1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,1-9H2
• InChIKey: LBXYGEXAYYPYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(adamantan-2-yl)piperazine
• IUPAC Traditional name: 1-(adamantan-2-yl)piperazine
• Synonyms: 1-(2-Adamantyl)piperazine

Database IDs

• MDL Number: MFCD02056458
• PubChem SID: 160987867
• PubChem CID: 4599242

CALCULATED PROPERTIES

• Polarizability: 26.672277 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6593646
• LogD (pH = 7.4): -1.1265721
• Log P: 1.8300437
• Molar Refractivity: 66.1937 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false