4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

C23H26FNO3 — CID 22127247

IUPAC4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C23H26FNO3/c24-20-9-7-18(8-10-20)21-11-12-25(23(26)27)14-22(21)28-15-16-5-6-17-3-1-2-4-19(17)13-16/h5-10,13,21-22H,1-4,11-12,14-15H2,(H,26,27)
InChIKeyARINFRPPOWCGSG-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 22127247) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID22127247
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C23H26FNO3/c24-20-9-7-18(8-10-20)21-11-12-25(23(26)27)14-22(21)28-15-16-5-6-17-3-1-2-4-19(17)13-16/h5-10,13,21-22H,1-4,11-12,14-15H2,(H,26,27)
InChIKeyARINFRPPOWCGSG-UHFFFAOYSA-N
XLogP4.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (CID 22127247) is 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is ARINFRPPOWCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c24-20-9-7-18(8-10-20)21-11-12-25(23(26)27)14-22(21)28-15-16-5-6-17-3-1-2-4-19(17)13-16/h5-10,13,21-22H,1-4,11-12,14-15H2,(H,26,27).
What are the key properties of 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 383.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22127247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).