4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol

C10H21FN2O — CID 87611861

IUPAC4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2O/c11-3-5-13-8-6-12(7-9-13)4-1-2-10-14/h14H,1-10H2
InChIKeyWNXRCNRGYIKQSE-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.35
Rot. Bonds6

About 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol

4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 87611861) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID87611861
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2O/c11-3-5-13-8-6-12(7-9-13)4-1-2-10-14/h14H,1-10H2
InChIKeyWNXRCNRGYIKQSE-UHFFFAOYSA-N
XLogP0.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
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 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol (CID 87611861) is 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol is OCCCCN1CCN(CCF)CC1.
What is the InChIKey of 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is WNXRCNRGYIKQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c11-3-5-13-8-6-12(7-9-13)4-1-2-10-14/h14H,1-10H2.
What are the key properties of 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol?
4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 204.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 87611861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).