2-fluoro-2-piperazin-1-ylpropanal

C7H13FN2O — CID 175277493

IUPAC2-fluoro-2-piperazin-1-ylpropanal
SMILESCC(F)(C=O)N1CCNCC1
InChIInChI=1S/C7H13FN2O/c1-7(8,6-11)10-4-2-9-3-5-10/h6,9H,2-5H2,1H3
InChIKeyVPKUVHMYKWNXNE-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.22
Rot. Bonds2

About 2-fluoro-2-piperazin-1-ylpropanal

2-fluoro-2-piperazin-1-ylpropanal (PubChem CID 175277493) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-2-piperazin-1-ylpropanal.

Molecular Properties

Compound Name2-fluoro-2-piperazin-1-ylpropanal
PubChem CID175277493
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-fluoro-2-piperazin-1-ylpropanal
SMILESCC(F)(C=O)N1CCNCC1
InChIInChI=1S/C7H13FN2O/c1-7(8,6-11)10-4-2-9-3-5-10/h6,9H,2-5H2,1H3
InChIKeyVPKUVHMYKWNXNE-UHFFFAOYSA-N
XLogP-0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-piperazin-1-ylpropanal?
The IUPAC name of 2-fluoro-2-piperazin-1-ylpropanal (CID 175277493) is 2-fluoro-2-piperazin-1-ylpropanal.
What is the SMILES notation for 2-fluoro-2-piperazin-1-ylpropanal?
The canonical SMILES for 2-fluoro-2-piperazin-1-ylpropanal is CC(F)(C=O)N1CCNCC1.
What is the InChIKey of 2-fluoro-2-piperazin-1-ylpropanal?
The InChIKey is VPKUVHMYKWNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-7(8,6-11)10-4-2-9-3-5-10/h6,9H,2-5H2,1H3.
What are the key properties of 2-fluoro-2-piperazin-1-ylpropanal?
2-fluoro-2-piperazin-1-ylpropanal has a molecular weight of 160.19 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-piperazin-1-ylpropanal is sourced from PubChem (CID 175277493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).