1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

• ChemBase ID: 143705
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: c1ccc2c(c1)CCC(C2)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C14H20N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-4,14-15H,5-11H2
• InChIKey: KEFHPVYDYSDBRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC Traditional name: 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• Synonyms: 1-(1,2,3,4-Tetrahydronaphthalen-2-yl)piperazine; 1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

Database IDs

• CAS Number: 1900-04-5
• MDL Number: MFCD05864539
• PubChem SID: 162237922
• PubChem CID: 3596803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1045239
• LogD (pH = 7.4): 0.028363604
• Log P: 2.2115996
• Molar Refractivity: 67.6919 cm^3
• Polarizability: 26.544228 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C14H20N2

DETAILS

Sigma Aldrich - CBR00530

Other Notes
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Legal Information
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