2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid

C15H22N2O3 — CID 167781295

IUPAC2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(COc2ccccn2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-13(15(18)19)17-9-6-12(7-10-17)11-20-14-5-3-4-8-16-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H,18,19)
InChIKeyPIRUWMCIHLOCTD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid

2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 167781295) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
PubChem CID167781295
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCC(COc2ccccn2)CC1
InChIInChI=1S/C15H22N2O3/c1-2-13(15(18)19)17-9-6-12(7-10-17)11-20-14-5-3-4-8-16-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H,18,19)
InChIKeyPIRUWMCIHLOCTD-UHFFFAOYSA-N
XLogP2.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
CID 126874409
1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one
CID 175922233
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
(2S)-2-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 124623164
2-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazine
CID 126874169
(2,3-dimethyl-1H-indol-6-yl)-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methanone
CID 46964932
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-methylsulfanyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605956
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid (CID 167781295) is 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCC(COc2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is PIRUWMCIHLOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-13(15(18)19)17-9-6-12(7-10-17)11-20-14-5-3-4-8-16-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid?
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 167781295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).