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

C15H20F2N2O3 — CID 135347163

IUPACtert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(O)c(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(21)19-6-4-18(5-7-19)12-9-13(20)11(17)8-10(12)16/h8-9,20H,4-7H2,1-3H3
InChIKeyGWDUBBUPISTUAD-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.73
Rot. Bonds1

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

tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate (PubChem CID 135347163) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
PubChem CID135347163
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(O)c(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(21)19-6-4-18(5-7-19)12-9-13(20)11(17)8-10(12)16/h8-9,20H,4-7H2,1-3H3
InChIKeyGWDUBBUPISTUAD-UHFFFAOYSA-N
XLogP2.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 135346608
tert-butyl 4-(2,4-difluoro-5-thiomorpholin-4-ylphenyl)piperazine-1-carboxylate
CID 146468049
tert-butyl 4-[2,4-difluoro-5-[(S)-methylsulfinyl]phenyl]piperazine-1-carboxylate
CID 146551002
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
tert-butyl 4-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperazine-1-carboxylate
CID 22272977
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperazine-1-carboxylate
CID 155937830
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 4-(2-amino-3,5-difluorophenyl)piperazine-1-carboxylate
CID 104933334
tert-butyl 4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 20785651
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 4-(4-amino-5-fluoro-2-methylphenyl)piperazine-1-carboxylate
CID 86725408
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate (CID 135347163) is tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(O)c(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate?
The InChIKey is GWDUBBUPISTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-15(2,3)22-14(21)19-6-4-18(5-7-19)12-9-13(20)11(17)8-10(12)16/h8-9,20H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate?
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate has a molecular weight of 314.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 135347163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).