4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid

C13H18N2O4 — CID 174789377

IUPAC4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccc(CO)c2CO)CC1
InChIInChI=1S/C13H18N2O4/c16-7-10-1-4-14-12(11(10)8-17)9-2-5-15(6-3-9)13(18)19/h1,4,9,16-17H,2-3,5-8H2,(H,18,19)
InChIKeyZSBZLSDQHZIGMH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.92
Rot. Bonds3

About 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid

4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 174789377) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
PubChem CID174789377
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccc(CO)c2CO)CC1
InChIInChI=1S/C13H18N2O4/c16-7-10-1-4-14-12(11(10)8-17)9-2-5-15(6-3-9)13(18)19/h1,4,9,16-17H,2-3,5-8H2,(H,18,19)
InChIKeyZSBZLSDQHZIGMH-UHFFFAOYSA-N
XLogP0.92
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67997271
4-[4-(hydroxymethyl)-3-methylphenyl]piperidine-1-carboxylic acid
CID 66622737
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 57256417
4-[3-[[(4-methylsulfonylphenyl)methylamino]methyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 67075253
4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
CID 69142231
4-imidazo[1,5-a]pyrazin-1-ylpiperidine-1-carboxylic acid
CID 87407286
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048
4-[2-chloro-4-(hydroxymethyl)phenyl]piperidine-1-carboxylic acid
CID 130303228
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid
CID 139349447

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid (CID 174789377) is 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nccc(CO)c2CO)CC1.
What is the InChIKey of 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is ZSBZLSDQHZIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-7-10-1-4-14-12(11(10)8-17)9-2-5-15(6-3-9)13(18)19/h1,4,9,16-17H,2-3,5-8H2,(H,18,19).
What are the key properties of 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid?
4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174789377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).