tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate

C15H25N3O3 — CID 82020206

IUPACtert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CN)c2ccco2)CC1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-17(7-9-18)12(11-16)13-5-4-10-20-13/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyONCKAWYJIXBPDI-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 82020206) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
PubChem CID82020206
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CN)c2ccco2)CC1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-17(7-9-18)12(11-16)13-5-4-10-20-13/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyONCKAWYJIXBPDI-UHFFFAOYSA-N
XLogP1.83
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 51623312
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CID 104933462
tert-butyl 4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-1-carboxylate
CID 104933454
tert-butyl 4-[(1S)-2-amino-1-(4-bromophenyl)ethyl]piperazine-1-carboxylate
CID 28703969
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
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tert-butyl 4-[[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
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tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
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tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate (CID 82020206) is tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CN)c2ccco2)CC1.
What is the InChIKey of tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is ONCKAWYJIXBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-17(7-9-18)12(11-16)13-5-4-10-20-13/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 82020206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).