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

C16H26N2O3 — CID 71633316

IUPACtert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)17-13-7-5-9-18(11-13)15(19)21-16(2,3)4/h6,8,10,12-13,17H,5,7,9,11H2,1-4H3/t12?,13-/m1/s1
InChIKeyDJHSLNJXIXMHLS-ZGTCLIOFSA-N
MW294.39 g/mol
LogP3.33
Rot. Bonds3

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

tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 71633316) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
PubChem CID71633316
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)17-13-7-5-9-18(11-13)15(19)21-16(2,3)4/h6,8,10,12-13,17H,5,7,9,11H2,1-4H3/t12?,13-/m1/s1
InChIKeyDJHSLNJXIXMHLS-ZGTCLIOFSA-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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Related Compounds

tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
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tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175805
tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
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tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
tert-butyl 3-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]piperidine-1-carboxylate
CID 111579071
tert-butyl 3-[1-(2,3-dichlorophenyl)ethylamino]azepane-1-carboxylate
CID 114079617
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl 3-(1-thiophen-3-ylethylamino)azepane-1-carboxylate
CID 103783574

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate (CID 71633316) is tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate is CC(N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1.
What is the InChIKey of tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is DJHSLNJXIXMHLS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(14-8-6-10-20-14)17-13-7-5-9-18(11-13)15(19)21-16(2,3)4/h6,8,10,12-13,17H,5,7,9,11H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[1-(furan-2-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 (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 71633316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).