4-(2-fluoropropyl)piperazine-1-carbaldehyde

C8H15FN2O — CID 160908607

IUPAC4-(2-fluoropropyl)piperazine-1-carbaldehyde
SMILESCC(F)CN1CCN(C=O)CC1
InChIInChI=1S/C8H15FN2O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6H2,1H3
InChIKeySQLYXRBVIKGIDO-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.12
Rot. Bonds3

About 4-(2-fluoropropyl)piperazine-1-carbaldehyde

4-(2-fluoropropyl)piperazine-1-carbaldehyde (PubChem CID 160908607) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 4-(2-fluoropropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoropropyl)piperazine-1-carbaldehyde
PubChem CID160908607
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name4-(2-fluoropropyl)piperazine-1-carbaldehyde
SMILESCC(F)CN1CCN(C=O)CC1
InChIInChI=1S/C8H15FN2O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6H2,1H3
InChIKeySQLYXRBVIKGIDO-UHFFFAOYSA-N
XLogP0.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.12
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-(2-fluoropropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-fluoropropyl)piperazine-1-carbaldehyde (CID 160908607) is 4-(2-fluoropropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-fluoropropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-fluoropropyl)piperazine-1-carbaldehyde is CC(F)CN1CCN(C=O)CC1.
What is the InChIKey of 4-(2-fluoropropyl)piperazine-1-carbaldehyde?
The InChIKey is SQLYXRBVIKGIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-8(9)6-10-2-4-11(7-12)5-3-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-(2-fluoropropyl)piperazine-1-carbaldehyde?
4-(2-fluoropropyl)piperazine-1-carbaldehyde has a molecular weight of 174.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 160908607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).