ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate

C15H22N2O2 — CID 103613521

IUPACethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2CC)nc1
InChIInChI=1S/C15H22N2O2/c1-3-13-7-5-6-10-17(13)14-9-8-12(11-16-14)15(18)19-4-2/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyLDNSOUKDZHLPFC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.03
Rot. Bonds4

About ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate

ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 103613521) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
PubChem CID103613521
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCCCC2CC)nc1
InChIInChI=1S/C15H22N2O2/c1-3-13-7-5-6-10-17(13)14-9-8-12(11-16-14)15(18)19-4-2/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyLDNSOUKDZHLPFC-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
ethyl 3-amino-4-[(2R)-2-ethylpiperidin-1-yl]benzoate
CID 86319026
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carboxylate
CID 103269869
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
ethyl 4-[5-(2-ethylpiperidin-1-yl)pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 109286263

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate (CID 103613521) is ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCCCC2CC)nc1.
What is the InChIKey of ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is LDNSOUKDZHLPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13-7-5-6-10-17(13)14-9-8-12(11-16-14)15(18)19-4-2/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate?
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 103613521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).