tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate

C17H21FN2O2 — CID 67375460

IUPACtert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Nc3ccc(F)cc32)CC1
InChIInChI=1S/C17H21FN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyONSZQXHMEWIWOB-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.81
Rot. Bonds

About tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate

tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 67375460) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID67375460
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Nametert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Nc3ccc(F)cc32)CC1
InChIInChI=1S/C17H21FN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyONSZQXHMEWIWOB-UHFFFAOYSA-N
XLogP3.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate (CID 67375460) is tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=Nc3ccc(F)cc32)CC1.
What is the InChIKey of tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is ONSZQXHMEWIWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 67375460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).