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

C13H18N2O4 — CID 105062780

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H18N2O4/c16-7-8-19-10-2-5-15(6-3-10)12-9-14-4-1-11(12)13(17)18/h1,4,9-10,16H,2-3,5-8H2,(H,17,18)
InChIKeyQYZYZEHHRWUXHC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds5

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

3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 105062780) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID105062780
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H18N2O4/c16-7-8-19-10-2-5-15(6-3-10)12-9-14-4-1-11(12)13(17)18/h1,4,9-10,16H,2-3,5-8H2,(H,17,18)
InChIKeyQYZYZEHHRWUXHC-UHFFFAOYSA-N
XLogP0.76
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 82691845
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
4-amino-3-[4-(2-hydroxyethoxy)piperidin-1-yl]benzoic acid
CID 82796667
4-[4-(2-hydroxyethoxy)piperidin-1-yl]isoquinoline-6-carboxamide
CID 56840017
3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114288669
3-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 105062852
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
3-(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-4-carboxylic acid
CID 105062773
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
2-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63904871

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid (CID 105062780) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1N1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QYZYZEHHRWUXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-7-8-19-10-2-5-15(6-3-10)12-9-14-4-1-11(12)13(17)18/h1,4,9-10,16H,2-3,5-8H2,(H,17,18).
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).