4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid

C20H23NO4 — CID 67084559

IUPAC4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-25-18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(24)11-13-21(14-12-20)19(22)23/h3-10,24H,2,11-14H2,1H3,(H,22,23)
InChIKeyTXDOATYCWCJRAV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.71
Rot. Bonds4

About 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid

4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 67084559) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID67084559
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESCCOc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-25-18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(24)11-13-21(14-12-20)19(22)23/h3-10,24H,2,11-14H2,1H3,(H,22,23)
InChIKeyTXDOATYCWCJRAV-UHFFFAOYSA-N
XLogP3.71
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
CID 3019411
[4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxycyclohexyl] ethyl carbonate;[4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxycyclohexyl] methyl carbonate
CID 70404236
N-[(4-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3053611
4-ethoxy-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]benzamide
CID 46965108
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
[4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxycyclohexyl] hexyl carbonate
CID 70403902
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
ethyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 154734195
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid (CID 67084559) is 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is CCOc1ccc(-c2ccc(C3(O)CCN(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is TXDOATYCWCJRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-25-18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(24)11-13-21(14-12-20)19(22)23/h3-10,24H,2,11-14H2,1H3,(H,22,23).
What are the key properties of 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67084559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).