tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride

C17H24ClFN2O2 — CID 70700440

IUPACtert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(F)ccc21.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20;/h4-5,10,19H,6-9,11H2,1-3H3;1H
InChIKeyYDBNNIITPFBDDW-UHFFFAOYSA-N
MW342.84 g/mol
LogP3.62
Rot. Bonds

About tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride

tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride (PubChem CID 70700440) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
PubChem CID70700440
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Nametert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(F)ccc21.Cl
InChIInChI=1S/C17H23FN2O2.ClH/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20;/h4-5,10,19H,6-9,11H2,1-3H3;1H
InChIKeyYDBNNIITPFBDDW-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride (CID 70700440) is tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cc(F)ccc21.Cl.
What is the InChIKey of tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride?
The InChIKey is YDBNNIITPFBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2.ClH/c1-16(2,3)22-15(21)20-11-17(6-8-19-9-7-17)13-10-12(18)4-5-14(13)20;/h4-5,10,19H,6-9,11H2,1-3H3;1H.
What are the key properties of tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride?
tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate;hydrochloride is sourced from PubChem (CID 70700440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).