2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride

C11H15ClN2O3 — CID 161080685

IUPAC2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(O[C@H]2CCCNC2)c1
InChIInChI=1S/C11H14N2O3.ClH/c14-11(15)8-3-5-13-10(6-8)16-9-2-1-4-12-7-9;/h3,5-6,9,12H,1-2,4,7H2,(H,14,15);1H/t9-;/m0./s1
InChIKeyHMGOHVWLAOYOCE-FVGYRXGTSA-N
MW258.70 g/mol
LogP1.33
Rot. Bonds3

About 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride

2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride (PubChem CID 161080685) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
PubChem CID161080685
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc(O[C@H]2CCCNC2)c1
InChIInChI=1S/C11H14N2O3.ClH/c14-11(15)8-3-5-13-10(6-8)16-9-2-1-4-12-7-9;/h3,5-6,9,12H,1-2,4,7H2,(H,14,15);1H/t9-;/m0./s1
InChIKeyHMGOHVWLAOYOCE-FVGYRXGTSA-N
XLogP1.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-piperidin-3-yloxypyridine
CID 86277564
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
6-[(3S)-piperidin-3-yl]oxypyridine-3-carboxamide
CID 66246010
2-[(3R)-piperidin-3-yl]oxypyrazine
CID 71637336
4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586399
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066
2-methyl-6-piperidin-3-yloxypyridine-4-carboxamide
CID 114770439
2-pyrrolidin-3-ylpyridine-4-carboxylic acid
CID 115018963
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 43095091

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride (CID 161080685) is 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccnc(O[C@H]2CCCNC2)c1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride?
The InChIKey is HMGOHVWLAOYOCE-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H14N2O3.ClH/c14-11(15)8-3-5-13-10(6-8)16-9-2-1-4-12-7-9;/h3,5-6,9,12H,1-2,4,7H2,(H,14,15);1H/t9-;/m0./s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride?
2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 161080685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).