1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid

C13H19BN2O4 — CID 140872513

IUPAC1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccc(B(O)O)cn2)CC1
InChIInChI=1S/C13H19BN2O4/c1-2-13(12(17)18)5-7-16(8-6-13)11-4-3-10(9-15-11)14(19)20/h3-4,9,19-20H,2,5-8H2,1H3,(H,17,18)
InChIKeyLWXNCYYOMJNAJC-UHFFFAOYSA-N
MW278.12 g/mol
LogP-0.16
Rot. Bonds4

About 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid

1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 140872513) has the molecular formula C13H19BN2O4 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID140872513
Molecular FormulaC13H19BN2O4
Molecular Weight278.12 g/mol
Exact Mass278.14
IUPAC Name1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ccc(B(O)O)cn2)CC1
InChIInChI=1S/C13H19BN2O4/c1-2-13(12(17)18)5-7-16(8-6-13)11-4-3-10(9-15-11)14(19)20/h3-4,9,19-20H,2,5-8H2,1H3,(H,17,18)
InChIKeyLWXNCYYOMJNAJC-UHFFFAOYSA-N
XLogP-0.16
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
CID 63125876
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
1-(5-bromo-1,3-thiazol-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 66981361
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
3-ethyl-1-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 63147374
4-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65270367
[6-[4-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 140872345
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
4-ethyl-1-(4-nitrophenyl)piperidine-4-carboxylic acid
CID 63126114
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659

Frequently Asked Questions

What is the IUPAC name of 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid (CID 140872513) is 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ccc(B(O)O)cn2)CC1.
What is the InChIKey of 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is LWXNCYYOMJNAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BN2O4/c1-2-13(12(17)18)5-7-16(8-6-13)11-4-3-10(9-15-11)14(19)20/h3-4,9,19-20H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 278.12 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-borono-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 140872513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).