4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid

C12H16N2O3 — CID 126505601

IUPAC4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESCc1ccc(OC2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(13-8-9)17-10-4-6-14(7-5-10)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyXFSRRICLGGGRPP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.91
Rot. Bonds2

About 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid

4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid (PubChem CID 126505601) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
PubChem CID126505601
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESCc1ccc(OC2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(13-8-9)17-10-4-6-14(7-5-10)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16)
InChIKeyXFSRRICLGGGRPP-UHFFFAOYSA-N
XLogP1.91
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 135155112
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126776018
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 126780643
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129418276
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid (CID 126505601) is 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid is Cc1ccc(OC2CCN(C(=O)O)CC2)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The InChIKey is XFSRRICLGGGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-3-11(13-8-9)17-10-4-6-14(7-5-10)12(15)16/h2-3,8,10H,4-7H2,1H3,(H,15,16).
What are the key properties of 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 126505601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).