1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine

C12H16F2N2 — CID 103587648

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
SMILESCc1cc(F)c(N2CCNCC2C)cc1F
InChIInChI=1S/C12H16F2N2/c1-8-5-11(14)12(6-10(8)13)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeySKOREKVTFMIBQT-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.07
Rot. Bonds1

About 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine

1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine (PubChem CID 103587648) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
PubChem CID103587648
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
SMILESCc1cc(F)c(N2CCNCC2C)cc1F
InChIInChI=1S/C12H16F2N2/c1-8-5-11(14)12(6-10(8)13)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3
InChIKeySKOREKVTFMIBQT-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine (CID 103587648) is 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine is Cc1cc(F)c(N2CCNCC2C)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine?
The InChIKey is SKOREKVTFMIBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-8-5-11(14)12(6-10(8)13)16-4-3-15-7-9(16)2/h5-6,9,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine?
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 103587648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).