tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol

C15H23FN2O3 — CID 174458308

IUPACtert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
SMILESCC(C)(C)OC=O.Oc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H13FN2O.C5H10O2/c11-9-7-8(14)1-2-10(9)13-5-3-12-4-6-13;1-5(2,3)7-4-6/h1-2,7,12,14H,3-6H2;4H,1-3H3
InChIKeyUCPKPKLSSJNBDT-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol

tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol (PubChem CID 174458308) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol.

Molecular Properties

Compound Nametert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
PubChem CID174458308
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Nametert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
SMILESCC(C)(C)OC=O.Oc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C10H13FN2O.C5H10O2/c11-9-7-8(14)1-2-10(9)13-5-3-12-4-6-13;1-5(2,3)7-4-6/h1-2,7,12,14H,3-6H2;4H,1-3H3
InChIKeyUCPKPKLSSJNBDT-UHFFFAOYSA-N
XLogP1.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol?
The IUPAC name of tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol (CID 174458308) is tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol.
What is the SMILES notation for tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol?
The canonical SMILES for tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol is CC(C)(C)OC=O.Oc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol?
The InChIKey is UCPKPKLSSJNBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.C5H10O2/c11-9-7-8(14)1-2-10(9)13-5-3-12-4-6-13;1-5(2,3)7-4-6/h1-2,7,12,14H,3-6H2;4H,1-3H3.
What are the key properties of tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol?
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol has a molecular weight of 298.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol is sourced from PubChem (CID 174458308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).