2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine

C15H21FN2 — CID 19827914

IUPAC2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1CCc2cccc(F)c2C1
InChIInChI=1S/C15H21FN2/c1-18-8-7-17-10-15(18)12-6-5-11-3-2-4-14(16)13(11)9-12/h2-4,12,15,17H,5-10H2,1H3
InChIKeyLYKHXGBLYUAZLM-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.83
Rot. Bonds1

About 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine

2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine (PubChem CID 19827914) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine
PubChem CID19827914
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine
SMILESCN1CCNCC1C1CCc2cccc(F)c2C1
InChIInChI=1S/C15H21FN2/c1-18-8-7-17-10-15(18)12-6-5-11-3-2-4-14(16)13(11)9-12/h2-4,12,15,17H,5-10H2,1H3
InChIKeyLYKHXGBLYUAZLM-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine?
The IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine (CID 19827914) is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine.
What is the SMILES notation for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine?
The canonical SMILES for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine is CN1CCNCC1C1CCc2cccc(F)c2C1.
What is the InChIKey of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine?
The InChIKey is LYKHXGBLYUAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-18-8-7-17-10-15(18)12-6-5-11-3-2-4-14(16)13(11)9-12/h2-4,12,15,17H,5-10H2,1H3.
What are the key properties of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine?
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine has a molecular weight of 248.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpiperazine is sourced from PubChem (CID 19827914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).