tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate

C17H26BrNO4 — CID 103916047

IUPACtert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCc2ccc(Br)o2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26BrNO4/c1-5-17(21-12-13-6-7-14(18)22-13)8-10-19(11-9-17)15(20)23-16(2,3)4/h6-7H,5,8-12H2,1-4H3
InChIKeyBAHATNAHFTWLMI-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.74
Rot. Bonds4

About tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate

tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate (PubChem CID 103916047) has the molecular formula C17H26BrNO4 and a molecular weight of 388.30 g/mol. Its IUPAC name is tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate
PubChem CID103916047
Molecular FormulaC17H26BrNO4
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Nametert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCc2ccc(Br)o2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26BrNO4/c1-5-17(21-12-13-6-7-14(18)22-13)8-10-19(11-9-17)15(20)23-16(2,3)4/h6-7H,5,8-12H2,1-4H3
InChIKeyBAHATNAHFTWLMI-UHFFFAOYSA-N
XLogP4.74
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041
tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
CID 113351223
tert-butyl 3-ethyl-3-[(1-ethylimidazol-2-yl)methoxy]pyrrolidine-1-carboxylate
CID 106938800
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
CID 103916009
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
CID 103916074
tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate (CID 103916047) is tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate is CCC1(OCc2ccc(Br)o2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate?
The InChIKey is BAHATNAHFTWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO4/c1-5-17(21-12-13-6-7-14(18)22-13)8-10-19(11-9-17)15(20)23-16(2,3)4/h6-7H,5,8-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate?
tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate has a molecular weight of 388.30 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 103916047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).