2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol

C10H21FN2O — CID 70970390

IUPAC2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCF)CC1
InChIInChI=1S/C10H21FN2O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-10H2
InChIKeyYVWSOHLQZKDMIK-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.35
Rot. Bonds6

About 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol

2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol (PubChem CID 70970390) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol
PubChem CID70970390
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCCF)CC1
InChIInChI=1S/C10H21FN2O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-10H2
InChIKeyYVWSOHLQZKDMIK-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 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol (CID 70970390) is 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol is OCCN1CCN(CCCCF)CC1.
What is the InChIKey of 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol?
The InChIKey is YVWSOHLQZKDMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-10H2.
What are the key properties of 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol?
2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol 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 2-[4-(4-fluorobutyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 70970390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).