4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde

C11H21FN2O — CID 175528161

IUPAC4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde
SMILESCCC(F)(CC)CN1CCN(C=O)CC1
InChIInChI=1S/C11H21FN2O/c1-3-11(12,4-2)9-13-5-7-14(10-15)8-6-13/h10H,3-9H2,1-2H3
InChIKeyXLVNTQLANGKPSL-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.29
Rot. Bonds5

About 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde

4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde (PubChem CID 175528161) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde
PubChem CID175528161
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde
SMILESCCC(F)(CC)CN1CCN(C=O)CC1
InChIInChI=1S/C11H21FN2O/c1-3-11(12,4-2)9-13-5-7-14(10-15)8-6-13/h10H,3-9H2,1-2H3
InChIKeyXLVNTQLANGKPSL-UHFFFAOYSA-N
XLogP1.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.29
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-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde (CID 175528161) is 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde is CCC(F)(CC)CN1CCN(C=O)CC1.
What is the InChIKey of 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde?
The InChIKey is XLVNTQLANGKPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-3-11(12,4-2)9-13-5-7-14(10-15)8-6-13/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde?
4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde has a molecular weight of 216.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2-fluorobutyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 175528161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).