piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate

C11H14ClN3O2 — CID 175085561

IUPACpiperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate
SMILESO=C(OCC1CCNCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)17-7-8-3-5-13-6-4-8/h1-2,8,13H,3-7H2
InChIKeyVUWICYWGUDNJHY-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.29
Rot. Bonds3

About piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate

piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate (PubChem CID 175085561) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate
PubChem CID175085561
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Namepiperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate
SMILESO=C(OCC1CCNCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)17-7-8-3-5-13-6-4-8/h1-2,8,13H,3-7H2
InChIKeyVUWICYWGUDNJHY-UHFFFAOYSA-N
XLogP1.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate?
The IUPAC name of piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate (CID 175085561) is piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate is O=C(OCC1CCNCC1)c1ccc(Cl)nn1.
What is the InChIKey of piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate?
The InChIKey is VUWICYWGUDNJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(16)17-7-8-3-5-13-6-4-8/h1-2,8,13H,3-7H2.
What are the key properties of piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate?
piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate has a molecular weight of 255.70 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 6-chloropyridazine-3-carboxylate is sourced from PubChem (CID 175085561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).