tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate

C20H25NO4 — CID 168528418

IUPACtert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-12-4-6-17(14-21)24-16-10-8-15(9-11-16)18-7-5-13-23-18/h5,7-11,13,17H,4,6,12,14H2,1-3H3
InChIKeyDBGMBYUMFPTKNS-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.72
Rot. Bonds3

About tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate

tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate (PubChem CID 168528418) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
PubChem CID168528418
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2ccc(-c3ccco3)cc2)C1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-12-4-6-17(14-21)24-16-10-8-15(9-11-16)18-7-5-13-23-18/h5,7-11,13,17H,4,6,12,14H2,1-3H3
InChIKeyDBGMBYUMFPTKNS-UHFFFAOYSA-N
XLogP4.72
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-[[4-(furan-2-yl)anilino]methyl]piperidine-1-carboxylate
CID 168526338
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyphenyl]-oxidoazanium
CID 142830467
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
CID 168527057
tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175805
tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl 3-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenoxy]piperidine-1-carboxylate
CID 53413839
tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
CID 24902463
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate (CID 168528418) is tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2ccc(-c3ccco3)cc2)C1.
What is the InChIKey of tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
The InChIKey is DBGMBYUMFPTKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21-12-4-6-17(14-21)24-16-10-8-15(9-11-16)18-7-5-13-23-18/h5,7-11,13,17H,4,6,12,14H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate?
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 168528418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).