2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol

C13H19FN2O — CID 693807

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
InChIKeyKCZHNDKCJQKXCG-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.94
Rot. Bonds4

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

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 693807) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID693807
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
InChIKeyKCZHNDKCJQKXCG-UHFFFAOYSA-N
XLogP0.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol (CID 693807) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is KCZHNDKCJQKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 238.31 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 693807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).