3-butan-2-yl-1-(2,6-difluorophenyl)piperazine

C14H20F2N2 — CID 64926019

IUPAC3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
SMILESCCC(C)C1CN(c2c(F)cccc2F)CCN1
InChIInChI=1S/C14H20F2N2/c1-3-10(2)13-9-18(8-7-17-13)14-11(15)5-4-6-12(14)16/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyBFIATIONKQIMBC-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds3

About 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine

3-butan-2-yl-1-(2,6-difluorophenyl)piperazine (PubChem CID 64926019) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
PubChem CID64926019
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name3-butan-2-yl-1-(2,6-difluorophenyl)piperazine
SMILESCCC(C)C1CN(c2c(F)cccc2F)CCN1
InChIInChI=1S/C14H20F2N2/c1-3-10(2)13-9-18(8-7-17-13)14-11(15)5-4-6-12(14)16/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyBFIATIONKQIMBC-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine 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 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine (CID 64926019) is 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine is CCC(C)C1CN(c2c(F)cccc2F)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine?
The InChIKey is BFIATIONKQIMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-3-10(2)13-9-18(8-7-17-13)14-11(15)5-4-6-12(14)16/h4-6,10,13,17H,3,7-9H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine?
3-butan-2-yl-1-(2,6-difluorophenyl)piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,6-difluorophenyl)piperazine is sourced from PubChem (CID 64926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).