1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid

C16H22ClNO3 — CID 63126737

IUPAC1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO3/c1-2-16(15(19)20)6-8-18(9-7-16)10-11-21-14-5-3-4-13(17)12-14/h3-5,12H,2,6-11H2,1H3,(H,19,20)
InChIKeyLZTYYLGLIYHGIL-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid

1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63126737) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID63126737
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO3/c1-2-16(15(19)20)6-8-18(9-7-16)10-11-21-14-5-3-4-13(17)12-14/h3-5,12H,2,6-11H2,1H3,(H,19,20)
InChIKeyLZTYYLGLIYHGIL-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137041
3-[2-(4-ethyl-4-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 136550595
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
1-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65066590
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]sulfonyl-4-methylpiperazine
CID 60500567
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid (CID 63126737) is 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is LZTYYLGLIYHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-2-16(15(19)20)6-8-18(9-7-16)10-11-21-14-5-3-4-13(17)12-14/h3-5,12H,2,6-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid?
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 311.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).