2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine

C14H20F2N4O — CID 170162249

IUPAC2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine
SMILESFC1(F)CCC(Oc2nccnc2N2CCNCC2)CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)3-1-11(2-4-14)21-13-12(18-5-6-19-13)20-9-7-17-8-10-20/h5-6,11,17H,1-4,7-10H2
InChIKeyDPGZNYOKSWDMHO-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.84
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine

2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine (PubChem CID 170162249) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine
PubChem CID170162249
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine
SMILESFC1(F)CCC(Oc2nccnc2N2CCNCC2)CC1
InChIInChI=1S/C14H20F2N4O/c15-14(16)3-1-11(2-4-14)21-13-12(18-5-6-19-13)20-9-7-17-8-10-20/h5-6,11,17H,1-4,7-10H2
InChIKeyDPGZNYOKSWDMHO-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine 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-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine (CID 170162249) is 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine is FC1(F)CCC(Oc2nccnc2N2CCNCC2)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine?
The InChIKey is DPGZNYOKSWDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c15-14(16)3-1-11(2-4-14)21-13-12(18-5-6-19-13)20-9-7-17-8-10-20/h5-6,11,17H,1-4,7-10H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine?
2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine has a molecular weight of 298.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)oxy-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 170162249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).