4-(3,5-difluorophenyl)piperazine-1-carbaldehyde

C11H12F2N2O — CID 134499697

IUPAC4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-9-5-10(13)7-11(6-9)15-3-1-14(8-16)2-4-15/h5-8H,1-4H2
InChIKeyXCODUDAAQGOSGH-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.24
Rot. Bonds2

About 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde

4-(3,5-difluorophenyl)piperazine-1-carbaldehyde (PubChem CID 134499697) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
PubChem CID134499697
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name4-(3,5-difluorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-9-5-10(13)7-11(6-9)15-3-1-14(8-16)2-4-15/h5-8H,1-4H2
InChIKeyXCODUDAAQGOSGH-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde (CID 134499697) is 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde is O=CN1CCN(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde?
The InChIKey is XCODUDAAQGOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-9-5-10(13)7-11(6-9)15-3-1-14(8-16)2-4-15/h5-8H,1-4H2.
What are the key properties of 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde?
4-(3,5-difluorophenyl)piperazine-1-carbaldehyde has a molecular weight of 226.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 134499697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).