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

C11H15ClN2O2 — CID 87615064

IUPAC2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
SMILESO=C(Cl)N1C=CC=CC1C1(O)CCNCC1
InChIInChI=1S/C11H15ClN2O2/c12-10(15)14-8-2-1-3-9(14)11(16)4-6-13-7-5-11/h1-3,8-9,13,16H,4-7H2
InChIKeyPPPPIWXKBVNCIZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.21
Rot. Bonds1

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

2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride (PubChem CID 87615064) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
PubChem CID87615064
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride
SMILESO=C(Cl)N1C=CC=CC1C1(O)CCNCC1
InChIInChI=1S/C11H15ClN2O2/c12-10(15)14-8-2-1-3-9(14)11(16)4-6-13-7-5-11/h1-3,8-9,13,16H,4-7H2
InChIKeyPPPPIWXKBVNCIZ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The IUPAC name of 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride (CID 87615064) is 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride.
What is the SMILES notation for 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The canonical SMILES for 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride is O=C(Cl)N1C=CC=CC1C1(O)CCNCC1.
What is the InChIKey of 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
The InChIKey is PPPPIWXKBVNCIZ-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/h1-3,8-9,13,16H,4-7H2.
What are the key properties of 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride?
2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride has a molecular weight of 242.71 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-4-yl)-2H-pyridine-1-carbonyl chloride is sourced from PubChem (CID 87615064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).