2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid

C17H21FN2O2 — CID 67375458

IUPAC2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)C1=Nc2ccc(F)cc2C12CCN(C(=O)O)CC2
InChIInChI=1S/C17H21FN2O2/c1-16(2,3)14-17(6-8-20(9-7-17)15(21)22)12-10-11(18)4-5-13(12)19-14/h4-5,10H,6-9H2,1-3H3,(H,21,22)
InChIKeyZHYZEOKKPYFTHD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.97
Rot. Bonds

About 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid

2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 67375458) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID67375458
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)C1=Nc2ccc(F)cc2C12CCN(C(=O)O)CC2
InChIInChI=1S/C17H21FN2O2/c1-16(2,3)14-17(6-8-20(9-7-17)15(21)22)12-10-11(18)4-5-13(12)19-14/h4-5,10H,6-9H2,1-3H3,(H,21,22)
InChIKeyZHYZEOKKPYFTHD-UHFFFAOYSA-N
XLogP3.97
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid (CID 67375458) is 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid is CC(C)(C)C1=Nc2ccc(F)cc2C12CCN(C(=O)O)CC2.
What is the InChIKey of 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is ZHYZEOKKPYFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-16(2,3)14-17(6-8-20(9-7-17)15(21)22)12-10-11(18)4-5-13(12)19-14/h4-5,10H,6-9H2,1-3H3,(H,21,22).
What are the key properties of 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 67375458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).