dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane

C18H30N2O5 — CID 142386912

IUPACdimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
SMILESCC.CC.COC(=O)c1ccc(N2CCC(O)CC2)nc1C(=O)OC
InChIInChI=1S/C14H18N2O5.2C2H6/c1-20-13(18)10-3-4-11(15-12(10)14(19)21-2)16-7-5-9(17)6-8-16;2*1-2/h3-4,9,17H,5-8H2,1-2H3;2*1-2H3
InChIKeyNZIMMSMTQKXAMO-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.67
Rot. Bonds3

About dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane

dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane (PubChem CID 142386912) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane.

Molecular Properties

Compound Namedimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
PubChem CID142386912
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Namedimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
SMILESCC.CC.COC(=O)c1ccc(N2CCC(O)CC2)nc1C(=O)OC
InChIInChI=1S/C14H18N2O5.2C2H6/c1-20-13(18)10-3-4-11(15-12(10)14(19)21-2)16-7-5-9(17)6-8-16;2*1-2/h3-4,9,17H,5-8H2,1-2H3;2*1-2H3
InChIKeyNZIMMSMTQKXAMO-UHFFFAOYSA-N
XLogP2.67
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
CID 142386891
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453
methyl 2-bromo-3-fluoro-4-(4-hydroxypiperidin-1-yl)benzoate
CID 174254701
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane?
The IUPAC name of dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane (CID 142386912) is dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane.
What is the SMILES notation for dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane?
The canonical SMILES for dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane is CC.CC.COC(=O)c1ccc(N2CCC(O)CC2)nc1C(=O)OC.
What is the InChIKey of dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane?
The InChIKey is NZIMMSMTQKXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5.2C2H6/c1-20-13(18)10-3-4-11(15-12(10)14(19)21-2)16-7-5-9(17)6-8-16;2*1-2/h3-4,9,17H,5-8H2,1-2H3;2*1-2H3.
What are the key properties of dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane?
dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane has a molecular weight of 354.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane is sourced from PubChem (CID 142386912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).