3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine

C13H19F2N3 — CID 18187498

IUPAC3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
SMILESCc1ccc(C(F)(F)CCC2CCNCC2)nn1
InChIInChI=1S/C13H19F2N3/c1-10-2-3-12(18-17-10)13(14,15)7-4-11-5-8-16-9-6-11/h2-3,11,16H,4-9H2,1H3
InChIKeyNXYKLCICWVJFLP-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.66
Rot. Bonds4

About 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine

3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine (PubChem CID 18187498) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
PubChem CID18187498
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
SMILESCc1ccc(C(F)(F)CCC2CCNCC2)nn1
InChIInChI=1S/C13H19F2N3/c1-10-2-3-12(18-17-10)13(14,15)7-4-11-5-8-16-9-6-11/h2-3,11,16H,4-9H2,1H3
InChIKeyNXYKLCICWVJFLP-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine?
The IUPAC name of 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine (CID 18187498) is 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine.
What is the SMILES notation for 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine?
The canonical SMILES for 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine is Cc1ccc(C(F)(F)CCC2CCNCC2)nn1.
What is the InChIKey of 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine?
The InChIKey is NXYKLCICWVJFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-10-2-3-12(18-17-10)13(14,15)7-4-11-5-8-16-9-6-11/h2-3,11,16H,4-9H2,1H3.
What are the key properties of 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine?
3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine has a molecular weight of 255.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine is sourced from PubChem (CID 18187498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).