2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine

C15H22F2N2 — CID 64846833

IUPAC2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyWXEPLDNTDOKSMZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.78
Rot. Bonds4

About 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine

2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine (PubChem CID 64846833) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
PubChem CID64846833
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyWXEPLDNTDOKSMZ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]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 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine (CID 64846833) is 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine is CCC(C)C1CNCCN1Cc1ccc(F)cc1F.
What is the InChIKey of 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine?
The InChIKey is WXEPLDNTDOKSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-11(2)15-9-18-6-7-19(15)10-12-4-5-13(16)8-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine?
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine has a molecular weight of 268.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 64846833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).