1-(3-fluoro-5-methylphenyl)-3-methylpiperazine

C12H17FN2 — CID 79047451

IUPAC1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
SMILESCc1cc(F)cc(N2CCNC(C)C2)c1
InChIInChI=1S/C12H17FN2/c1-9-5-11(13)7-12(6-9)15-4-3-14-10(2)8-15/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyJIYPTCVVFRLTCR-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine

1-(3-fluoro-5-methylphenyl)-3-methylpiperazine (PubChem CID 79047451) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
PubChem CID79047451
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
SMILESCc1cc(F)cc(N2CCNC(C)C2)c1
InChIInChI=1S/C12H17FN2/c1-9-5-11(13)7-12(6-9)15-4-3-14-10(2)8-15/h5-7,10,14H,3-4,8H2,1-2H3
InChIKeyJIYPTCVVFRLTCR-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine (CID 79047451) is 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine is Cc1cc(F)cc(N2CCNC(C)C2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine?
The InChIKey is JIYPTCVVFRLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-5-11(13)7-12(6-9)15-4-3-14-10(2)8-15/h5-7,10,14H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine?
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-3-methylpiperazine is sourced from PubChem (CID 79047451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).