ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride

C13H20Cl3N3O2 — CID 68842869

IUPACethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnc(N2CCC(N)CC2)c(Cl)c1.Cl.Cl
InChIInChI=1S/C13H18ClN3O2.2ClH/c1-2-19-13(18)9-7-11(14)12(16-8-9)17-5-3-10(15)4-6-17;;/h7-8,10H,2-6,15H2,1H3;2*1H
InChIKeyOMFJIYHPLWNGOH-UHFFFAOYSA-N
MW356.68 g/mol
LogP2.68
Rot. Bonds3

About ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride

ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride (PubChem CID 68842869) has the molecular formula C13H20Cl3N3O2 and a molecular weight of 356.68 g/mol. Its IUPAC name is ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
PubChem CID68842869
Molecular FormulaC13H20Cl3N3O2
Molecular Weight356.68 g/mol
Exact Mass355.06
IUPAC Nameethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
SMILESCCOC(=O)c1cnc(N2CCC(N)CC2)c(Cl)c1.Cl.Cl
InChIInChI=1S/C13H18ClN3O2.2ClH/c1-2-19-13(18)9-7-11(14)12(16-8-9)17-5-3-10(15)4-6-17;;/h7-8,10H,2-6,15H2,1H3;2*1H
InChIKeyOMFJIYHPLWNGOH-UHFFFAOYSA-N
XLogP2.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 87867883
CID 87867883
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
CID 68603079
ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878
ethyl 6-[4-[(4-tert-butylphenyl)carbamoyl]piperidin-1-yl]-5-chloropyridine-3-carboxylate
CID 24751145
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
ethyl 5-chloro-6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 11620159
ethyl 5-chloro-6-[4-[(E)-1-phenylethylidenecarbamoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 91898709
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
ethyl 6-[4-(2-benzamido-2-sulfanylideneethanethioyl)piperazin-1-yl]-5-chloropyridine-3-carboxylate
CID 141193588
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride?
The IUPAC name of ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride (CID 68842869) is ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride is CCOC(=O)c1cnc(N2CCC(N)CC2)c(Cl)c1.Cl.Cl.
What is the InChIKey of ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride?
The InChIKey is OMFJIYHPLWNGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.2ClH/c1-2-19-13(18)9-7-11(14)12(16-8-9)17-5-3-10(15)4-6-17;;/h7-8,10H,2-6,15H2,1H3;2*1H.
What are the key properties of ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride?
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride has a molecular weight of 356.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride is sourced from PubChem (CID 68842869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).