tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate

C13H20N2O3 — CID 131227560

IUPACtert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccoc2)C1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-6-5-14-11(8-15)10-4-7-17-9-10/h4,7,9,11,14H,5-6,8H2,1-3H3
InChIKeyRSYKFTWUACGNCI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds1

About tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate

tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate (PubChem CID 131227560) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
PubChem CID131227560
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(c2ccoc2)C1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-6-5-14-11(8-15)10-4-7-17-9-10/h4,7,9,11,14H,5-6,8H2,1-3H3
InChIKeyRSYKFTWUACGNCI-UHFFFAOYSA-N
XLogP2.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
tert-butyl 3-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
CID 91666765
tert-butyl (3S)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
CID 133058705
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 59674744
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
tert-butyl 3-(2-methylsulfanylphenyl)piperazine-1-carboxylate
CID 83806256
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777
tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate
CID 82308835
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate (CID 131227560) is tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(c2ccoc2)C1.
What is the InChIKey of tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate?
The InChIKey is RSYKFTWUACGNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-6-5-14-11(8-15)10-4-7-17-9-10/h4,7,9,11,14H,5-6,8H2,1-3H3.
What are the key properties of tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate?
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 131227560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).