tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate

C17H27NO4 — CID 71633671

IUPACtert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
SMILESCC(OCC1CCCCN1C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C17H27NO4/c1-13(15-9-7-11-20-15)21-12-14-8-5-6-10-18(14)16(19)22-17(2,3)4/h7,9,11,13-14H,5-6,8,10,12H2,1-4H3
InChIKeyMHXHDKNJVHSCEH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate

tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate (PubChem CID 71633671) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
PubChem CID71633671
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nametert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
SMILESCC(OCC1CCCCN1C(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C17H27NO4/c1-13(15-9-7-11-20-15)21-12-14-8-5-6-10-18(14)16(19)22-17(2,3)4/h7,9,11,13-14H,5-6,8,10,12H2,1-4H3
InChIKeyMHXHDKNJVHSCEH-UHFFFAOYSA-N
XLogP4.15
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[[(1R)-1-(furan-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175846
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
tert-butyl (2S)-2-[[(1S)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175851
tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 106633307
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl (2R)-2-[[(1S)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175905
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
CID 143813318
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate (CID 71633671) is tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate is CC(OCC1CCCCN1C(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate?
The InChIKey is MHXHDKNJVHSCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-13(15-9-7-11-20-15)21-12-14-8-5-6-10-18(14)16(19)22-17(2,3)4/h7,9,11,13-14H,5-6,8,10,12H2,1-4H3.
What are the key properties of tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate?
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71633671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).