6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

C12H16N2O3 — CID 129445649

IUPAC6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(C(=O)O)cn2)CC[C@H]1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(5-4-10(8)15)11-3-2-9(6-13-11)12(16)17/h2-3,6,8,10,15H,4-5,7H2,1H3,(H,16,17)/t8-,10-/m1/s1
InChIKeyBSCQIYWCQCUFLN-PSASIEDQSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds2

About 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid

6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129445649) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129445649
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(C(=O)O)cn2)CC[C@H]1O
InChIInChI=1S/C12H16N2O3/c1-8-7-14(5-4-10(8)15)11-3-2-9(6-13-11)12(16)17/h2-3,6,8,10,15H,4-5,7H2,1H3,(H,16,17)/t8-,10-/m1/s1
InChIKeyBSCQIYWCQCUFLN-PSASIEDQSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
(3S,4R)-1-(5-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445711
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-methylsulfanylazepan-1-yl)pyridine-3-carboxylic acid
CID 114237506
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
CID 114678889
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid (CID 129445649) is 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is C[C@@H]1CN(c2ccc(C(=O)O)cn2)CC[C@H]1O.
What is the InChIKey of 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is BSCQIYWCQCUFLN-PSASIEDQSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-14(5-4-10(8)15)11-3-2-9(6-13-11)12(16)17/h2-3,6,8,10,15H,4-5,7H2,1H3,(H,16,17)/t8-,10-/m1/s1.
What are the key properties of 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid?
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129445649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).