4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

C23H22FNO3 — CID 22126940

IUPAC4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(F)c2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C23H22FNO3/c24-20-7-3-6-19(13-20)21-10-11-25(23(26)27)14-22(21)28-15-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21-22H,10-11,14-15H2,(H,26,27)
InChIKeyDCKYTSUHJKDMGW-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.03
Rot. Bonds4

About 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 22126940) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID22126940
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cccc(F)c2)C(OCc2ccc3ccccc3c2)C1
InChIInChI=1S/C23H22FNO3/c24-20-7-3-6-19(13-20)21-10-11-25(23(26)27)14-22(21)28-15-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21-22H,10-11,14-15H2,(H,26,27)
InChIKeyDCKYTSUHJKDMGW-UHFFFAOYSA-N
XLogP5.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorophenyl)-3-(naphthalen-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-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (CID 22126940) is 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cccc(F)c2)C(OCc2ccc3ccccc3c2)C1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is DCKYTSUHJKDMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c24-20-7-3-6-19(13-20)21-10-11-25(23(26)27)14-22(21)28-15-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21-22H,10-11,14-15H2,(H,26,27).
What are the key properties of 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 379.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22126940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).