1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid

C15H20FNO3 — CID 95484471

IUPAC1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C15H20FNO3/c1-3-17-8-6-15(7-9-17,14(18)19)11-4-5-13(20-2)12(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyCZJYPUIMYQVARS-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.27
Rot. Bonds4

About 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid

1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid (PubChem CID 95484471) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
PubChem CID95484471
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C15H20FNO3/c1-3-17-8-6-15(7-9-17,14(18)19)11-4-5-13(20-2)12(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyCZJYPUIMYQVARS-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
[1-(3,4-dimethoxyphenyl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 110436742
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
CID 95478207
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-4-carboxylic acid
CID 56896082
1-[(3-carboxy-4-methoxyphenyl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 91836844
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-(4-methoxy-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117384290
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid (CID 95484471) is 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid is CCN1CCC(C(=O)O)(c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid?
The InChIKey is CZJYPUIMYQVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-17-8-6-15(7-9-17,14(18)19)11-4-5-13(20-2)12(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid?
1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid has a molecular weight of 281.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 95484471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).