3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine

C15H23N3O — CID 54449375

IUPAC3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(CC3CCOCC3)CC2)c1
InChIInChI=1S/C15H23N3O/c1-2-15(17-16-7-1)18-8-3-13(4-9-18)12-14-5-10-19-11-6-14/h1-2,7,13-14H,3-6,8-12H2
InChIKeyCJYLBRZDXNKBRY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds3

About 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine

3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine (PubChem CID 54449375) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine
PubChem CID54449375
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(CC3CCOCC3)CC2)c1
InChIInChI=1S/C15H23N3O/c1-2-15(17-16-7-1)18-8-3-13(4-9-18)12-14-5-10-19-11-6-14/h1-2,7,13-14H,3-6,8-12H2
InChIKeyCJYLBRZDXNKBRY-UHFFFAOYSA-N
XLogP2.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine (CID 54449375) is 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine is c1cnnc(N2CCC(CC3CCOCC3)CC2)c1.
What is the InChIKey of 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine?
The InChIKey is CJYLBRZDXNKBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-15(17-16-7-1)18-8-3-13(4-9-18)12-14-5-10-19-11-6-14/h1-2,7,13-14H,3-6,8-12H2.
What are the key properties of 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine?
3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine has a molecular weight of 261.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-ylmethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 54449375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).