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

C13H19N3O3 — CID 135155112

IUPAC4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCC(N)c1ccc(OC2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C13H19N3O3/c1-9(14)10-2-3-12(15-8-10)19-11-4-6-16(7-5-11)13(17)18/h2-3,8-9,11H,4-7,14H2,1H3,(H,17,18)
InChIKeyKTRHKGBUOXAVEN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds3

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

4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 135155112) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID135155112
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCC(N)c1ccc(OC2CCN(C(=O)O)CC2)nc1
InChIInChI=1S/C13H19N3O3/c1-9(14)10-2-3-12(15-8-10)19-11-4-6-16(7-5-11)13(17)18/h2-3,8-9,11H,4-7,14H2,1H3,(H,17,18)
InChIKeyKTRHKGBUOXAVEN-UHFFFAOYSA-N
XLogP1.62
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 166572022
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
2-amino-2-(6-cyclobutyloxy-3-pyridinyl)ethanol
CID 71183010
4-[[6-(3,3,3-trifluoro-2-hydroxypropoxy)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129277675
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 68924039
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 135155112) is 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid is CC(N)c1ccc(OC2CCN(C(=O)O)CC2)nc1.
What is the InChIKey of 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is KTRHKGBUOXAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(14)10-2-3-12(15-8-10)19-11-4-6-16(7-5-11)13(17)18/h2-3,8-9,11H,4-7,14H2,1H3,(H,17,18).
What are the key properties of 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-aminoethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 135155112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).