2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid

C15H19NO2 — CID 68895680

IUPAC2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
SMILESO=C(O)CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)15/h1-4H,5-11H2,(H,17,18)
InChIKeyVEBFJSBWIPTGGH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds2

About 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid

2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid (PubChem CID 68895680) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid.

Molecular Properties

Compound Name2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
PubChem CID68895680
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid
SMILESO=C(O)CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)15/h1-4H,5-11H2,(H,17,18)
InChIKeyVEBFJSBWIPTGGH-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid?
The IUPAC name of 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid (CID 68895680) is 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid.
What is the SMILES notation for 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid?
The canonical SMILES for 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid is O=C(O)CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid?
The InChIKey is VEBFJSBWIPTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)15/h1-4H,5-11H2,(H,17,18).
What are the key properties of 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid?
2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylacetic acid is sourced from PubChem (CID 68895680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).