tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate

C16H26N2O3 — CID 103778464

IUPACtert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccoc1
InChIInChI=1S/C16H26N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h7,10-12,14,17H,5-6,8-9H2,1-4H3
InChIKeyQXNUWUAIFZCNHT-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.33
Rot. Bonds3

About tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 103778464) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
PubChem CID103778464
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccoc1
InChIInChI=1S/C16H26N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h7,10-12,14,17H,5-6,8-9H2,1-4H3
InChIKeyQXNUWUAIFZCNHT-UHFFFAOYSA-N
XLogP3.33
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate (CID 103778464) is tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccoc1.
What is the InChIKey of tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is QXNUWUAIFZCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)21-16(2,3)4/h7,10-12,14,17H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103778464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).