3-(fluoromethyl)piperazine-1-carbaldehyde

C6H11FN2O — CID 141234480

IUPAC3-(fluoromethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC(CF)C1
InChIInChI=1S/C6H11FN2O/c7-3-6-4-9(5-10)2-1-8-6/h5-6,8H,1-4H2
InChIKeyBZKNXSLADAQCGA-UHFFFAOYSA-N
MW146.16 g/mol
LogP-0.61
Rot. Bonds2

About 3-(fluoromethyl)piperazine-1-carbaldehyde

3-(fluoromethyl)piperazine-1-carbaldehyde (PubChem CID 141234480) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 3-(fluoromethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name3-(fluoromethyl)piperazine-1-carbaldehyde
PubChem CID141234480
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name3-(fluoromethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC(CF)C1
InChIInChI=1S/C6H11FN2O/c7-3-6-4-9(5-10)2-1-8-6/h5-6,8H,1-4H2
InChIKeyBZKNXSLADAQCGA-UHFFFAOYSA-N
XLogP-0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
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 3-(fluoromethyl)piperazine-1-carbaldehyde?
The IUPAC name of 3-(fluoromethyl)piperazine-1-carbaldehyde (CID 141234480) is 3-(fluoromethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 3-(fluoromethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 3-(fluoromethyl)piperazine-1-carbaldehyde is O=CN1CCNC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)piperazine-1-carbaldehyde?
The InChIKey is BZKNXSLADAQCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c7-3-6-4-9(5-10)2-1-8-6/h5-6,8H,1-4H2.
What are the key properties of 3-(fluoromethyl)piperazine-1-carbaldehyde?
3-(fluoromethyl)piperazine-1-carbaldehyde has a molecular weight of 146.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 141234480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).