6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride

C12H18ClN3O2 — CID 154881659

IUPAC6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
SMILESCCN1CCN(c2ccc(C(=O)O)cn2)CC1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-14-5-7-15(8-6-14)11-4-3-10(9-13-11)12(16)17;/h3-4,9H,2,5-8H2,1H3,(H,16,17);1H
InChIKeyGHDSNIBSBIDXDF-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.34
Rot. Bonds3

About 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride

6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride (PubChem CID 154881659) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
PubChem CID154881659
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
SMILESCCN1CCN(c2ccc(C(=O)O)cn2)CC1.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-2-14-5-7-15(8-6-14)11-4-3-10(9-13-11)12(16)17;/h3-4,9H,2,5-8H2,1H3,(H,16,17);1H
InChIKeyGHDSNIBSBIDXDF-UHFFFAOYSA-N
XLogP1.34
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
(E)-3-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80632941
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
6-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]pyridine-3-carbonyl iodide
CID 166765068
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride (CID 154881659) is 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride is CCN1CCN(c2ccc(C(=O)O)cn2)CC1.Cl.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is GHDSNIBSBIDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-2-14-5-7-15(8-6-14)11-4-3-10(9-13-11)12(16)17;/h3-4,9H,2,5-8H2,1H3,(H,16,17);1H.
What are the key properties of 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride?
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154881659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).