5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine

C17H27FN2 — CID 80696880

IUPAC5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C17H27FN2/c1-4-14(2)16-12-20(11-10-18)17(3,13-19-16)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3
InChIKeyJFIMHCUGELKUGZ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.19
Rot. Bonds5

About 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine

5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine (PubChem CID 80696880) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
PubChem CID80696880
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C17H27FN2/c1-4-14(2)16-12-20(11-10-18)17(3,13-19-16)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3
InChIKeyJFIMHCUGELKUGZ-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine 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 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine (CID 80696880) is 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine is CCC(C)C1CN(CCF)C(C)(c2ccccc2)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine?
The InChIKey is JFIMHCUGELKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-14(2)16-12-20(11-10-18)17(3,13-19-16)15-8-6-5-7-9-15/h5-9,14,16,19H,4,10-13H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine?
5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine has a molecular weight of 278.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine is sourced from PubChem (CID 80696880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).