6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride

C11H15ClN2O2 — CID 87615063

IUPAC6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
SMILESO=C(Cl)N1CC=CC=C1C1(O)CCNCC1
InChIInChI=1S/C11H15ClN2O2/c12-10(15)14-8-2-1-3-9(14)11(16)4-6-13-7-5-11/h1-3,13,16H,4-8H2
InChIKeyRZKXXOKXLXDCOM-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.22
Rot. Bonds1

About 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride

6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride (PubChem CID 87615063) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
PubChem CID87615063
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
SMILESO=C(Cl)N1CC=CC=C1C1(O)CCNCC1
InChIInChI=1S/C11H15ClN2O2/c12-10(15)14-8-2-1-3-9(14)11(16)4-6-13-7-5-11/h1-3,13,16H,4-8H2
InChIKeyRZKXXOKXLXDCOM-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The IUPAC name of 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride (CID 87615063) is 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride.
What is the SMILES notation for 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The canonical SMILES for 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride is O=C(Cl)N1CC=CC=C1C1(O)CCNCC1.
What is the InChIKey of 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The InChIKey is RZKXXOKXLXDCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10(15)14-8-2-1-3-9(14)11(16)4-6-13-7-5-11/h1-3,13,16H,4-8H2.
What are the key properties of 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride has a molecular weight of 242.71 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride is sourced from PubChem (CID 87615063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).