1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol

C11H16N2O2 — CID 54592826

IUPAC1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol
SMILESOCc1cc(N2CCC(O)CC2)ccn1
InChIInChI=1S/C11H16N2O2/c14-8-9-7-10(1-4-12-9)13-5-2-11(15)3-6-13/h1,4,7,11,14-15H,2-3,5-6,8H2
InChIKeyZGKAAFZCQIJOQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds2

About 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol

1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol (PubChem CID 54592826) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol
PubChem CID54592826
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol
SMILESOCc1cc(N2CCC(O)CC2)ccn1
InChIInChI=1S/C11H16N2O2/c14-8-9-7-10(1-4-12-9)13-5-2-11(15)3-6-13/h1,4,7,11,14-15H,2-3,5-6,8H2
InChIKeyZGKAAFZCQIJOQG-UHFFFAOYSA-N
XLogP0.54
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol (CID 54592826) is 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol is OCc1cc(N2CCC(O)CC2)ccn1.
What is the InChIKey of 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol?
The InChIKey is ZGKAAFZCQIJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-9-7-10(1-4-12-9)13-5-2-11(15)3-6-13/h1,4,7,11,14-15H,2-3,5-6,8H2.
What are the key properties of 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol?
1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol has a molecular weight of 208.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 54592826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).