2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid

C21H20FNO3 — CID 18770956

IUPAC2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(C=C(c3cccc(F)c3)c3ccccc3O2)CC1
InChIInChI=1S/C21H20FNO3/c22-16-5-3-4-15(12-16)18-13-21(26-19-7-2-1-6-17(18)19)8-10-23(11-9-21)14-20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25)
InChIKeyHPELMCYCBSBHAD-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.57
Rot. Bonds3

About 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid

2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid (PubChem CID 18770956) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
PubChem CID18770956
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(C=C(c3cccc(F)c3)c3ccccc3O2)CC1
InChIInChI=1S/C21H20FNO3/c22-16-5-3-4-15(12-16)18-13-21(26-19-7-2-1-6-17(18)19)8-10-23(11-9-21)14-20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25)
InChIKeyHPELMCYCBSBHAD-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid (CID 18770956) is 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid is O=C(O)CN1CCC2(C=C(c3cccc(F)c3)c3ccccc3O2)CC1.
What is the InChIKey of 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
The InChIKey is HPELMCYCBSBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c22-16-5-3-4-15(12-16)18-13-21(26-19-7-2-1-6-17(18)19)8-10-23(11-9-21)14-20(24)25/h1-7,12-13H,8-11,14H2,(H,24,25).
What are the key properties of 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid?
2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid has a molecular weight of 353.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 18770956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).