3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid

C22H24FNO3 — CID 22127228

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H24FNO3/c23-19-8-6-17(7-9-19)20-10-11-24(22(25)26)13-21(20)27-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21H,1-3,10-11,13-14H2,(H,25,26)
InChIKeyXZSGEEVVPTWADE-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.37
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid

3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 22127228) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID22127228
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C22H24FNO3/c23-19-8-6-17(7-9-19)20-10-11-24(22(25)26)13-21(20)27-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21H,1-3,10-11,13-14H2,(H,25,26)
InChIKeyXZSGEEVVPTWADE-UHFFFAOYSA-N
XLogP4.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 22127228) is 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is XZSGEEVVPTWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-19-8-6-17(7-9-19)20-10-11-24(22(25)26)13-21(20)27-14-15-4-5-16-2-1-3-18(16)12-15/h4-9,12,20-21H,1-3,10-11,13-14H2,(H,25,26).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 369.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22127228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).