3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine

C20H25FN4O — CID 71083364

IUPAC3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine
SMILESFc1ccccc1CN1CCN(c2ccc(C3CCCCO3)nn2)CC1
InChIInChI=1S/C20H25FN4O/c21-17-6-2-1-5-16(17)15-24-10-12-25(13-11-24)20-9-8-18(22-23-20)19-7-3-4-14-26-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2
InChIKeyVFCOPRSANXQSBA-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.18
Rot. Bonds4

About 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine

3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine (PubChem CID 71083364) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine
PubChem CID71083364
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine
SMILESFc1ccccc1CN1CCN(c2ccc(C3CCCCO3)nn2)CC1
InChIInChI=1S/C20H25FN4O/c21-17-6-2-1-5-16(17)15-24-10-12-25(13-11-24)20-9-8-18(22-23-20)19-7-3-4-14-26-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2
InChIKeyVFCOPRSANXQSBA-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine?
The IUPAC name of 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine (CID 71083364) is 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine?
The canonical SMILES for 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine is Fc1ccccc1CN1CCN(c2ccc(C3CCCCO3)nn2)CC1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine?
The InChIKey is VFCOPRSANXQSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-17-6-2-1-5-16(17)15-24-10-12-25(13-11-24)20-9-8-18(22-23-20)19-7-3-4-14-26-19/h1-2,5-6,8-9,19H,3-4,7,10-15H2.
What are the key properties of 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine?
3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine has a molecular weight of 356.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-6-(oxan-2-yl)pyridazine is sourced from PubChem (CID 71083364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).