(2S)-2-(3-fluoro-2-methylphenyl)piperazine

C11H15FN2 — CID 55264820

IUPAC(2S)-2-(3-fluoro-2-methylphenyl)piperazine
SMILESCc1c(F)cccc1[C@H]1CNCCN1
InChIInChI=1S/C11H15FN2/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7H2,1H3/t11-/m1/s1
InChIKeyFKAMINYEJBNYNV-LLVKDONJSA-N
MW194.25 g/mol
LogP1.37
Rot. Bonds1

About (2S)-2-(3-fluoro-2-methylphenyl)piperazine

(2S)-2-(3-fluoro-2-methylphenyl)piperazine (PubChem CID 55264820) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-2-methylphenyl)piperazine
PubChem CID55264820
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2S)-2-(3-fluoro-2-methylphenyl)piperazine
SMILESCc1c(F)cccc1[C@H]1CNCCN1
InChIInChI=1S/C11H15FN2/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7H2,1H3/t11-/m1/s1
InChIKeyFKAMINYEJBNYNV-LLVKDONJSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-2-methylphenyl)piperazine?
The IUPAC name of (2S)-2-(3-fluoro-2-methylphenyl)piperazine (CID 55264820) is (2S)-2-(3-fluoro-2-methylphenyl)piperazine.
What is the SMILES notation for (2S)-2-(3-fluoro-2-methylphenyl)piperazine?
The canonical SMILES for (2S)-2-(3-fluoro-2-methylphenyl)piperazine is Cc1c(F)cccc1[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-(3-fluoro-2-methylphenyl)piperazine?
The InChIKey is FKAMINYEJBNYNV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-9(3-2-4-10(8)12)11-7-13-5-6-14-11/h2-4,11,13-14H,5-7H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-(3-fluoro-2-methylphenyl)piperazine?
(2S)-2-(3-fluoro-2-methylphenyl)piperazine has a molecular weight of 194.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-2-methylphenyl)piperazine is sourced from PubChem (CID 55264820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).