tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate

C17H22N2O3 — CID 22277253

IUPACtert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1cccc2occc12
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19-9-8-18-11-14(19)12-5-4-6-15-13(12)7-10-21-15/h4-7,10,14,18H,8-9,11H2,1-3H3
InChIKeySMAATZHYZQVSDN-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate

tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate (PubChem CID 22277253) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate
PubChem CID22277253
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1cccc2occc12
InChIInChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19-9-8-18-11-14(19)12-5-4-6-15-13(12)7-10-21-15/h4-7,10,14,18H,8-9,11H2,1-3H3
InChIKeySMAATZHYZQVSDN-UHFFFAOYSA-N
XLogP3.31
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(4-amino-2-fluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176897650
tert-butyl 2-(4-bromo-2-nitrophenyl)piperazine-1-carboxylate
CID 90909881
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790
tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
CID 169083058
tert-butyl 2-(3-fluoro-4-phenylphenyl)piperazine-1-carboxylate
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tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
tert-butyl (2S)-2-(2-phenylethenyl)piperazine-1-carboxylate
CID 174681084
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]piperazine-1-carboxylate
CID 177207047
tert-butyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541661
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate (CID 22277253) is tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1c1cccc2occc12.
What is the InChIKey of tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate?
The InChIKey is SMAATZHYZQVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19-9-8-18-11-14(19)12-5-4-6-15-13(12)7-10-21-15/h4-7,10,14,18H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate?
tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 22277253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).