tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate

C16H21FN2O3 — CID 69000949

IUPACtert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(F)ncc12
InChIInChI=1S/C16H21FN2O3/c1-15(2,3)22-14(20)19-6-4-16(5-7-19)12-9-18-13(17)8-11(12)10-21-16/h8-9H,4-7,10H2,1-3H3
InChIKeyLKAMHQZYJLKHBE-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.98
Rot. Bonds

About tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate

tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate (PubChem CID 69000949) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
PubChem CID69000949
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Nametert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(F)ncc12
InChIInChI=1S/C16H21FN2O3/c1-15(2,3)22-14(20)19-6-4-16(5-7-19)12-9-18-13(17)8-11(12)10-21-16/h8-9H,4-7,10H2,1-3H3
InChIKeyLKAMHQZYJLKHBE-UHFFFAOYSA-N
XLogP2.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 71305419
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CID 172575282
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
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CID 149433806
tert-butyl 6-fluoro-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxylate;ethane
CID 144753701
tert-butyl 3-fluoro-5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146485823
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
CID 172716585
tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10087410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate (CID 69000949) is tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(F)ncc12.
What is the InChIKey of tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate?
The InChIKey is LKAMHQZYJLKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-15(2,3)22-14(20)19-6-4-16(5-7-19)12-9-18-13(17)8-11(12)10-21-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate?
tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 69000949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).