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

C10H21FN2 — CID 59628483

IUPAC1-ethyl-4-(4-fluorobutyl)piperazine
SMILESCCN1CCN(CCCCF)CC1
InChIInChI=1S/C10H21FN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3
InChIKeyWZIPBPMOJVTWGG-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds5

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

1-ethyl-4-(4-fluorobutyl)piperazine (PubChem CID 59628483) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-ethyl-4-(4-fluorobutyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(4-fluorobutyl)piperazine
PubChem CID59628483
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-ethyl-4-(4-fluorobutyl)piperazine
SMILESCCN1CCN(CCCCF)CC1
InChIInChI=1S/C10H21FN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3
InChIKeyWZIPBPMOJVTWGG-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-fluorobutyl)piperazine?
The IUPAC name of 1-ethyl-4-(4-fluorobutyl)piperazine (CID 59628483) is 1-ethyl-4-(4-fluorobutyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(4-fluorobutyl)piperazine?
The canonical SMILES for 1-ethyl-4-(4-fluorobutyl)piperazine is CCN1CCN(CCCCF)CC1.
What is the InChIKey of 1-ethyl-4-(4-fluorobutyl)piperazine?
The InChIKey is WZIPBPMOJVTWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-10H2,1H3.
What are the key properties of 1-ethyl-4-(4-fluorobutyl)piperazine?
1-ethyl-4-(4-fluorobutyl)piperazine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-fluorobutyl)piperazine is sourced from PubChem (CID 59628483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).