4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid

C16H23NO3 — CID 114431427

IUPAC4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cccc(OC)c2)C(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-3-12-7-8-17(15(10-12)16(18)19)11-13-5-4-6-14(9-13)20-2/h4-6,9,12,15H,3,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyQJIVYKZHKZBUQP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds5

About 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid

4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 114431427) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID114431427
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2cccc(OC)c2)C(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-3-12-7-8-17(15(10-12)16(18)19)11-13-5-4-6-14(9-13)20-2/h4-6,9,12,15H,3,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyQJIVYKZHKZBUQP-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
4-[(3-methoxyphenyl)methyl]thiomorpholine-3-carboxylic acid
CID 82906012
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744
1-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431245
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667
1-[2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 154748125

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 114431427) is 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid is CCC1CCN(Cc2cccc(OC)c2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is QJIVYKZHKZBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-12-7-8-17(15(10-12)16(18)19)11-13-5-4-6-14(9-13)20-2/h4-6,9,12,15H,3,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114431427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).