tert-butyl formate;3-piperazin-2-ylphenol

C15H24N2O3 — CID 174756939

IUPACtert-butyl formate;3-piperazin-2-ylphenol
SMILESCC(C)(C)OC=O.Oc1cccc(C2CNCCN2)c1
InChIInChI=1S/C10H14N2O.C5H10O2/c13-9-3-1-2-8(6-9)10-7-11-4-5-12-10;1-5(2,3)7-4-6/h1-3,6,10-13H,4-5,7H2;4H,1-3H3
InChIKeyUFGLXMIUYVYQEH-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl formate;3-piperazin-2-ylphenol

tert-butyl formate;3-piperazin-2-ylphenol (PubChem CID 174756939) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl formate;3-piperazin-2-ylphenol.

Molecular Properties

Compound Nametert-butyl formate;3-piperazin-2-ylphenol
PubChem CID174756939
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl formate;3-piperazin-2-ylphenol
SMILESCC(C)(C)OC=O.Oc1cccc(C2CNCCN2)c1
InChIInChI=1S/C10H14N2O.C5H10O2/c13-9-3-1-2-8(6-9)10-7-11-4-5-12-10;1-5(2,3)7-4-6/h1-3,6,10-13H,4-5,7H2;4H,1-3H3
InChIKeyUFGLXMIUYVYQEH-UHFFFAOYSA-N
XLogP1.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
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-piperazin-2-ylphenol?
The IUPAC name of tert-butyl formate;3-piperazin-2-ylphenol (CID 174756939) is tert-butyl formate;3-piperazin-2-ylphenol.
What is the SMILES notation for tert-butyl formate;3-piperazin-2-ylphenol?
The canonical SMILES for tert-butyl formate;3-piperazin-2-ylphenol is CC(C)(C)OC=O.Oc1cccc(C2CNCCN2)c1.
What is the InChIKey of tert-butyl formate;3-piperazin-2-ylphenol?
The InChIKey is UFGLXMIUYVYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C5H10O2/c13-9-3-1-2-8(6-9)10-7-11-4-5-12-10;1-5(2,3)7-4-6/h1-3,6,10-13H,4-5,7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;3-piperazin-2-ylphenol?
tert-butyl formate;3-piperazin-2-ylphenol has a molecular weight of 280.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-piperazin-2-ylphenol is sourced from PubChem (CID 174756939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).