4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid

C13H19N3O3 — CID 66720389

IUPAC4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(NCc2ccccn2)C1O
InChIInChI=1S/C13H19N3O3/c1-9-7-16(13(18)19)8-11(12(9)17)15-6-10-4-2-3-5-14-10/h2-5,9,11-12,15,17H,6-8H2,1H3,(H,18,19)
InChIKeySRSDQEFLJNQKIT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.53
Rot. Bonds3

About 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid

4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid (PubChem CID 66720389) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid
PubChem CID66720389
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(NCc2ccccn2)C1O
InChIInChI=1S/C13H19N3O3/c1-9-7-16(13(18)19)8-11(12(9)17)15-6-10-4-2-3-5-14-10/h2-5,9,11-12,15,17H,6-8H2,1H3,(H,18,19)
InChIKeySRSDQEFLJNQKIT-UHFFFAOYSA-N
XLogP0.53
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid (CID 66720389) is 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid is CC1CN(C(=O)O)CC(NCc2ccccn2)C1O.
What is the InChIKey of 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid?
The InChIKey is SRSDQEFLJNQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-16(13(18)19)8-11(12(9)17)15-6-10-4-2-3-5-14-10/h2-5,9,11-12,15,17H,6-8H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid?
4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-(pyridin-2-ylmethylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 66720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).