1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine

C15H22F2N2 — CID 64849242

IUPAC1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-15(3)10-19(11(2)8-18-15)9-12-5-6-13(16)7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyJYGGJDDSULDICP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine

1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64849242) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID64849242
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-4-15(3)10-19(11(2)8-18-15)9-12-5-6-13(16)7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyJYGGJDDSULDICP-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine 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 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine (CID 64849242) is 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(Cc2ccc(F)cc2F)C(C)CN1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is JYGGJDDSULDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-15(3)10-19(11(2)8-18-15)9-12-5-6-13(16)7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine?
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64849242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).