tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate

C15H20F2N2O2 — CID 113079908

IUPACtert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3
InChIKeySJTJHTXEEGJDLC-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.02
Rot. Bonds1

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

tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate (PubChem CID 113079908) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
PubChem CID113079908
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Nametert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3
InChIKeySJTJHTXEEGJDLC-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 20785651
tert-butyl 4-(2-amino-3,5-difluorophenyl)piperazine-1-carboxylate
CID 104933334
tert-butyl 4-(2,4-difluoro-5-hydroxyphenyl)piperazine-1-carboxylate
CID 135347163
tert-butyl 4-[4-(1,3-dioxolan-2-yl)-2-fluorophenyl]piperazine-1-carboxylate
CID 162443568
tert-butyl 4-[5-fluoro-2-(2-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 67593617
tert-butyl 4-[2-fluoro-4-(4-oxopiperidine-1-carbonyl)phenyl]piperazine-1-carboxylate
CID 146551877
2,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 135346608
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)-2-fluorophenyl]piperazine-1-carboxylate
CID 171598712
tert-butyl 4-(2,4-difluoro-5-thiomorpholin-4-ylphenyl)piperazine-1-carboxylate
CID 146468049
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl 4-(2,4-difluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176811217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate (CID 113079908) is tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The InChIKey is SJTJHTXEEGJDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate has a molecular weight of 298.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113079908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).