4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

C14H20N2O4 — CID 82691845

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(OCCO)CC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O4/c1-10-8-13(12(9-15-10)14(18)19)16-4-2-11(3-5-16)20-7-6-17/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyKWKRIMDUZKZYPH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds5

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 82691845) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID82691845
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC(OCCO)CC2)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O4/c1-10-8-13(12(9-15-10)14(18)19)16-4-2-11(3-5-16)20-7-6-17/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyKWKRIMDUZKZYPH-UHFFFAOYSA-N
XLogP1.07
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81233113
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780
4-(4-carbamoylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81233126
6-methyl-4-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 81233197
6-methyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carboxylic acid
CID 81243834
6-methyl-4-piperazin-1-ylpyridine-3-carboxylic acid
CID 81232904
4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 102958647
6-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81232217
4-amino-3-[4-(2-hydroxyethoxy)piperidin-1-yl]benzoic acid
CID 82796667
5-chloro-6-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-3-carboxylic acid
CID 82691325
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 81244446
4-(3,3-dimethylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244783

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 82691845) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CCC(OCCO)CC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is KWKRIMDUZKZYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-13(12(9-15-10)14(18)19)16-4-2-11(3-5-16)20-7-6-17/h8-9,11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 82691845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).