2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine

C14H17F5N2 — CID 115565123

IUPAC2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
SMILESCCCC1CN(c2c(F)c(F)c(F)c(F)c2F)C(C)CN1
InChIInChI=1S/C14H17F5N2/c1-3-4-8-6-21(7(2)5-20-8)14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,3-6H2,1-2H3
InChIKeyVKNYMVPGYGGLKT-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine

2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine (PubChem CID 115565123) has the molecular formula C14H17F5N2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
PubChem CID115565123
Molecular FormulaC14H17F5N2
Molecular Weight308.29 g/mol
Exact Mass308.13
IUPAC Name2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
SMILESCCCC1CN(c2c(F)c(F)c(F)c(F)c2F)C(C)CN1
InChIInChI=1S/C14H17F5N2/c1-3-4-8-6-21(7(2)5-20-8)14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,3-6H2,1-2H3
InChIKeyVKNYMVPGYGGLKT-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine 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 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine?
The IUPAC name of 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine (CID 115565123) is 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine is CCCC1CN(c2c(F)c(F)c(F)c(F)c2F)C(C)CN1.
What is the InChIKey of 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine?
The InChIKey is VKNYMVPGYGGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2/c1-3-4-8-6-21(7(2)5-20-8)14-12(18)10(16)9(15)11(17)13(14)19/h7-8,20H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine?
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine has a molecular weight of 308.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine is sourced from PubChem (CID 115565123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).