1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine

C11H23FN2O — CID 70970407

IUPAC1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCCCF)CC1
InChIInChI=1S/C11H23FN2O/c1-15-11-10-14-8-6-13(7-9-14)5-3-2-4-12/h2-11H2,1H3
InChIKeyDSOILFUUGBXNOH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.00
Rot. Bonds7

About 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine

1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine (PubChem CID 70970407) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine
PubChem CID70970407
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCCCF)CC1
InChIInChI=1S/C11H23FN2O/c1-15-11-10-14-8-6-13(7-9-14)5-3-2-4-12/h2-11H2,1H3
InChIKeyDSOILFUUGBXNOH-UHFFFAOYSA-N
XLogP1.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine (CID 70970407) is 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine is COCCN1CCN(CCCCF)CC1.
What is the InChIKey of 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine?
The InChIKey is DSOILFUUGBXNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-15-11-10-14-8-6-13(7-9-14)5-3-2-4-12/h2-11H2,1H3.
What are the key properties of 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine?
1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine has a molecular weight of 218.32 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 70970407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).