1-(4-fluoro-3-methylphenyl)-3-methylpiperazine

C12H17FN2 — CID 62669735

IUPAC1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
SMILESCc1cc(N2CCNC(C)C2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-10(2)8-15/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyMETXGDXLECSZEW-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine

1-(4-fluoro-3-methylphenyl)-3-methylpiperazine (PubChem CID 62669735) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
PubChem CID62669735
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
SMILESCc1cc(N2CCNC(C)C2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-10(2)8-15/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyMETXGDXLECSZEW-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

Analyze 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine (CID 62669735) is 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine is Cc1cc(N2CCNC(C)C2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine?
The InChIKey is METXGDXLECSZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-7-11(3-4-12(9)13)15-6-5-14-10(2)8-15/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-methylpiperazine?
1-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-3-methylpiperazine is sourced from PubChem (CID 62669735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).