tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate

C17H28N2O3 — CID 104955747

IUPACtert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
SMILESCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-12(14-8-10-21-11-14)18-15-7-6-9-19(13(15)2)16(20)22-17(3,4)5/h8,10-13,15,18H,6-7,9H2,1-5H3
InChIKeyLGJIUIKMYHSHFW-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate

tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate (PubChem CID 104955747) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
PubChem CID104955747
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
SMILESCC(NC1CCCN(C(=O)OC(C)(C)C)C1C)c1ccoc1
InChIInChI=1S/C17H28N2O3/c1-12(14-8-10-21-11-14)18-15-7-6-9-19(13(15)2)16(20)22-17(3,4)5/h8,10-13,15,18H,6-7,9H2,1-5H3
InChIKeyLGJIUIKMYHSHFW-UHFFFAOYSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244595
tert-butyl 3-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 107256789
tert-butyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]piperidine-1-carboxylate
CID 107256654
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 104954244
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769
tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 104955758
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
CID 104955728
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate (CID 104955747) is tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate is CC(NC1CCCN(C(=O)OC(C)(C)C)C1C)c1ccoc1.
What is the InChIKey of tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate?
The InChIKey is LGJIUIKMYHSHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(14-8-10-21-11-14)18-15-7-6-9-19(13(15)2)16(20)22-17(3,4)5/h8,10-13,15,18H,6-7,9H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate?
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 104955747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).