4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

C23H22FNO4 — CID 22128461

IUPAC4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2O)C1
InChIInChI=1S/C23H22FNO4/c24-18-9-7-16(8-10-18)19-11-12-25(23(27)28)13-21(19)29-14-17-6-5-15-3-1-2-4-20(15)22(17)26/h1-10,19,21,26H,11-14H2,(H,27,28)
InChIKeyZWAFVCGXLVUNKD-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.74
Rot. Bonds4

About 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (PubChem CID 22128461) has the molecular formula C23H22FNO4 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
PubChem CID22128461
Molecular FormulaC23H22FNO4
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2O)C1
InChIInChI=1S/C23H22FNO4/c24-18-9-7-16(8-10-18)19-11-12-25(23(27)28)13-21(19)29-14-17-6-5-15-3-1-2-4-20(15)22(17)26/h1-10,19,21,26H,11-14H2,(H,27,28)
InChIKeyZWAFVCGXLVUNKD-UHFFFAOYSA-N
XLogP4.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
3-[[2-(aminomethyl)phenyl]methoxy]-4-phenylpiperidine-1-carboxylic acid
CID 22127962
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 22128638
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
3-[(4-hydroxynaphthalen-2-yl)methoxy]-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylic acid
CID 22127119
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid (CID 22128461) is 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2O)C1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is ZWAFVCGXLVUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c24-18-9-7-16(8-10-18)19-11-12-25(23(27)28)13-21(19)29-14-17-6-5-15-3-1-2-4-20(15)22(17)26/h1-10,19,21,26H,11-14H2,(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 395.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 22128461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).