tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate

C16H25NO4 — CID 97175805

IUPACtert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
SMILESC[C@H](O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C16H25NO4/c1-12(14-8-6-10-19-14)20-13-7-5-9-17(11-13)15(18)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyZVSRIYYMSREJEP-STQMWFEESA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate

tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate (PubChem CID 97175805) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
PubChem CID97175805
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
SMILESC[C@H](O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C16H25NO4/c1-12(14-8-6-10-19-14)20-13-7-5-9-17(11-13)15(18)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyZVSRIYYMSREJEP-STQMWFEESA-N
XLogP3.76
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
CID 168528418
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl 3-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]piperidine-1-carboxylate
CID 111579071
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl 3-[1-(1H-pyrrol-2-yl)ethoxy]pyrrolidine-1-carboxylate
CID 71633658
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97175371
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate (CID 97175805) is tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate is C[C@H](O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccco1.
What is the InChIKey of tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate?
The InChIKey is ZVSRIYYMSREJEP-STQMWFEESA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(14-8-6-10-19-14)20-13-7-5-9-17(11-13)15(18)21-16(2,3)4/h6,8,10,12-13H,5,7,9,11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 97175805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).