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

C11H15FN2O — CID 82268248

IUPAC4-fluoro-2-(piperazin-1-ylmethyl)phenol
SMILESOc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-1-2-11(15)9(7-10)8-14-5-3-13-4-6-14/h1-2,7,13,15H,3-6,8H2
InChIKeyNSSSZELRKPCQFQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.94
Rot. Bonds2

About 4-fluoro-2-(piperazin-1-ylmethyl)phenol

4-fluoro-2-(piperazin-1-ylmethyl)phenol (PubChem CID 82268248) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-2-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(piperazin-1-ylmethyl)phenol
PubChem CID82268248
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-fluoro-2-(piperazin-1-ylmethyl)phenol
SMILESOc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C11H15FN2O/c12-10-1-2-11(15)9(7-10)8-14-5-3-13-4-6-14/h1-2,7,13,15H,3-6,8H2
InChIKeyNSSSZELRKPCQFQ-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 4-fluoro-2-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 4-fluoro-2-(piperazin-1-ylmethyl)phenol (CID 82268248) is 4-fluoro-2-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 4-fluoro-2-(piperazin-1-ylmethyl)phenol is Oc1ccc(F)cc1CN1CCNCC1.
What is the InChIKey of 4-fluoro-2-(piperazin-1-ylmethyl)phenol?
The InChIKey is NSSSZELRKPCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-10-1-2-11(15)9(7-10)8-14-5-3-13-4-6-14/h1-2,7,13,15H,3-6,8H2.
What are the key properties of 4-fluoro-2-(piperazin-1-ylmethyl)phenol?
4-fluoro-2-(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 4-fluoro-2-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 82268248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).