1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol

C11H15ClN2O2 — CID 114920202

IUPAC1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
SMILESOCc1cc(N2CCC(O)CC2)ncc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-6-13-11(5-8(10)7-15)14-3-1-9(16)2-4-14/h5-6,9,15-16H,1-4,7H2
InChIKeyQOOZABSEPINACS-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.19
Rot. Bonds2

About 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol

1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 114920202) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID114920202
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol
SMILESOCc1cc(N2CCC(O)CC2)ncc1Cl
InChIInChI=1S/C11H15ClN2O2/c12-10-6-13-11(5-8(10)7-15)14-3-1-9(16)2-4-14/h5-6,9,15-16H,1-4,7H2
InChIKeyQOOZABSEPINACS-UHFFFAOYSA-N
XLogP1.19
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol (CID 114920202) is 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol is OCc1cc(N2CCC(O)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is QOOZABSEPINACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-6-13-11(5-8(10)7-15)14-3-1-9(16)2-4-14/h5-6,9,15-16H,1-4,7H2.
What are the key properties of 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol?
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 242.71 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 114920202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).