2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol

C13H20N2O2 — CID 107228577

IUPAC2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cccc(CO)n2)C1
InChIInChI=1S/C13H20N2O2/c16-8-6-11-3-2-7-15(9-11)13-5-1-4-12(10-17)14-13/h1,4-5,11,16-17H,2-3,6-10H2
InChIKeyMKBYQIYZZJVIQE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.17
Rot. Bonds4

About 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol

2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol (PubChem CID 107228577) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
PubChem CID107228577
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2cccc(CO)n2)C1
InChIInChI=1S/C13H20N2O2/c16-8-6-11-3-2-7-15(9-11)13-5-1-4-12(10-17)14-13/h1,4-5,11,16-17H,2-3,6-10H2
InChIKeyMKBYQIYZZJVIQE-UHFFFAOYSA-N
XLogP1.17
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol (CID 107228577) is 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol is OCCC1CCCN(c2cccc(CO)n2)C1.
What is the InChIKey of 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
The InChIKey is MKBYQIYZZJVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-8-6-11-3-2-7-15(9-11)13-5-1-4-12(10-17)14-13/h1,4-5,11,16-17H,2-3,6-10H2.
What are the key properties of 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol?
2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).