2-fluoro-6-(piperazin-1-ylmethyl)phenol

C11H15FN2O — CID 82508070

IUPAC2-fluoro-6-(piperazin-1-ylmethyl)phenol
SMILESOc1c(F)cccc1CN1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-3-1-2-9(11(10)15)8-14-6-4-13-5-7-14/h1-3,13,15H,4-8H2
InChIKeyBSGYRBSCAYFRDN-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.94
Rot. Bonds2

About 2-fluoro-6-(piperazin-1-ylmethyl)phenol

2-fluoro-6-(piperazin-1-ylmethyl)phenol (PubChem CID 82508070) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-fluoro-6-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-6-(piperazin-1-ylmethyl)phenol
PubChem CID82508070
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-fluoro-6-(piperazin-1-ylmethyl)phenol
SMILESOc1c(F)cccc1CN1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-3-1-2-9(11(10)15)8-14-6-4-13-5-7-14/h1-3,13,15H,4-8H2
InChIKeyBSGYRBSCAYFRDN-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 2-fluoro-6-(piperazin-1-ylmethyl)phenol (CID 82508070) is 2-fluoro-6-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-6-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-6-(piperazin-1-ylmethyl)phenol is Oc1c(F)cccc1CN1CCNCC1.
What is the InChIKey of 2-fluoro-6-(piperazin-1-ylmethyl)phenol?
The InChIKey is BSGYRBSCAYFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-3-1-2-9(11(10)15)8-14-6-4-13-5-7-14/h1-3,13,15H,4-8H2.
What are the key properties of 2-fluoro-6-(piperazin-1-ylmethyl)phenol?
2-fluoro-6-(piperazin-1-ylmethyl)phenol has a molecular weight of 210.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 82508070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).