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

C16H23NO3 — CID 114430849

IUPAC4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2ccc(OC)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-3-12-8-9-17(15(10-12)16(18)19)11-13-4-6-14(20-2)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyRMYFSQRJHNGIJM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds5

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

4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 114430849) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID114430849
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(Cc2ccc(OC)cc2)C(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-3-12-8-9-17(15(10-12)16(18)19)11-13-4-6-14(20-2)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyRMYFSQRJHNGIJM-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-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 114431472
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
1-[(4-chloro-2-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114851059
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431245
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430650
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 70126130

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid (CID 114430849) is 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is CCC1CCN(Cc2ccc(OC)cc2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is RMYFSQRJHNGIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-12-8-9-17(15(10-12)16(18)19)11-13-4-6-14(20-2)7-5-13/h4-7,12,15H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(4-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-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).