[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate

C11H14ClN3O2 — CID 174932270

IUPAC[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate
SMILESO=COC(c1ccc(Cl)nn1)C1CCNCC1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(17-7-16)8-3-5-13-6-4-8/h1-2,7-8,11,13H,3-6H2
InChIKeyVUWCRSIHURMTPN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.34
Rot. Bonds4

About [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate

[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate (PubChem CID 174932270) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate.

Molecular Properties

Compound Name[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate
PubChem CID174932270
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate
SMILESO=COC(c1ccc(Cl)nn1)C1CCNCC1
InChIInChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(17-7-16)8-3-5-13-6-4-8/h1-2,7-8,11,13H,3-6H2
InChIKeyVUWCRSIHURMTPN-UHFFFAOYSA-N
XLogP1.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate?
The IUPAC name of [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate (CID 174932270) is [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate.
What is the SMILES notation for [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate?
The canonical SMILES for [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate is O=COC(c1ccc(Cl)nn1)C1CCNCC1.
What is the InChIKey of [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate?
The InChIKey is VUWCRSIHURMTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-2-1-9(14-15-10)11(17-7-16)8-3-5-13-6-4-8/h1-2,7-8,11,13H,3-6H2.
What are the key properties of [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate?
[(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate has a molecular weight of 255.70 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-chloropyridazin-3-yl)-piperidin-4-ylmethyl] formate is sourced from PubChem (CID 174932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).