1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid

C15H17ClN2O2 — CID 114427574

IUPAC1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2cc(Cl)ccc2C#N)C(C(=O)O)C1
InChIInChI=1S/C15H17ClN2O2/c1-2-10-5-6-18(14(7-10)15(19)20)13-8-12(16)4-3-11(13)9-17/h3-4,8,10,14H,2,5-7H2,1H3,(H,19,20)
InChIKeyBOQNXXVKXYCZQQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.29
Rot. Bonds3

About 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid

1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427574) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427574
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(c2cc(Cl)ccc2C#N)C(C(=O)O)C1
InChIInChI=1S/C15H17ClN2O2/c1-2-10-5-6-18(14(7-10)15(19)20)13-8-12(16)4-3-11(13)9-17/h3-4,8,10,14H,2,5-7H2,1H3,(H,19,20)
InChIKeyBOQNXXVKXYCZQQ-UHFFFAOYSA-N
XLogP3.29
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
CID 103353808
1-(3-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427570
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
4-chloro-2-(2-ethylpyrrolidin-1-yl)benzonitrile
CID 63093407
4-ethyl-1-(2-methyl-5-nitrophenyl)piperidine-2-carboxylic acid
CID 114427517
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427582
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430650
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 63083153

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid (CID 114427574) is 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(c2cc(Cl)ccc2C#N)C(C(=O)O)C1.
What is the InChIKey of 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is BOQNXXVKXYCZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-10-5-6-18(14(7-10)15(19)20)13-8-12(16)4-3-11(13)9-17/h3-4,8,10,14H,2,5-7H2,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid?
1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 292.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).