2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid

C12H16N2O3 — CID 159765233

IUPAC2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1OCc1cccnc1
InChIInChI=1S/C12H16N2O3/c15-12(16)14-7-2-1-5-11(14)17-9-10-4-3-6-13-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,15,16)
InChIKeyNFKJIUGLOIOLBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.09
Rot. Bonds3

About 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid

2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 159765233) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID159765233
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1OCc1cccnc1
InChIInChI=1S/C12H16N2O3/c15-12(16)14-7-2-1-5-11(14)17-9-10-4-3-6-13-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,15,16)
InChIKeyNFKJIUGLOIOLBL-UHFFFAOYSA-N
XLogP2.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methoxy]piperidine-1-carboxylic acid
CID 91418373
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
[(4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone
CID 97365990
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553984
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
tert-butyl 2-[2-(pyridin-3-ylmethoxy)ethyl]piperidine-1-carboxylate
CID 71631648
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid (CID 159765233) is 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCCCC1OCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is NFKJIUGLOIOLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(16)14-7-2-1-5-11(14)17-9-10-4-3-6-13-8-10/h3-4,6,8,11H,1-2,5,7,9H2,(H,15,16).
What are the key properties of 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid?
2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 159765233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).