4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

C16H22FNO3 — CID 63126703

IUPAC4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H22FNO3/c1-3-16(15(19)20)6-8-18(9-7-16)11-12-10-13(17)4-5-14(12)21-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyQYHVXCZJAJIMDO-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.91
Rot. Bonds5

About 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 63126703) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID63126703
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C16H22FNO3/c1-3-16(15(19)20)6-8-18(9-7-16)11-12-10-13(17)4-5-14(12)21-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyQYHVXCZJAJIMDO-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyano-4-fluorophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63289555
1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114866947
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
(2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 8971994
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56884415
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid (CID 63126703) is 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(Cc2cc(F)ccc2OC)CC1.
What is the InChIKey of 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is QYHVXCZJAJIMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-16(15(19)20)6-8-18(9-7-16)11-12-10-13(17)4-5-14(12)21-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 295.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).