tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate

C15H22N2O4 — CID 121260807

IUPACtert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(O)ccc2O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-6-16(7-9-17)12-10-11(18)4-5-13(12)19/h4-5,10,18-19H,6-9H2,1-3H3
InChIKeyVWZWUQBBOSGMMV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate

tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate (PubChem CID 121260807) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
PubChem CID121260807
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(O)ccc2O)CC1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-6-16(7-9-17)12-10-11(18)4-5-13(12)19/h4-5,10,18-19H,6-9H2,1-3H3
InChIKeyVWZWUQBBOSGMMV-UHFFFAOYSA-N
XLogP2.15
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
CID 135347163
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 102191974
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 4-(2-hydroxynaphthalen-1-yl)piperazine-1-carboxylate
CID 69421037
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
tert-butyl 4-(4-carbonochloridoylphenyl)piperazine-1-carboxylate
CID 57439881

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate (CID 121260807) is tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(O)ccc2O)CC1.
What is the InChIKey of tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate?
The InChIKey is VWZWUQBBOSGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-8-6-16(7-9-17)12-10-11(18)4-5-13(12)19/h4-5,10,18-19H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate?
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 121260807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).