[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone

C16H17FN4O — CID 70730781

IUPAC[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN4O/c17-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16(22)15-5-2-6-18-19-15/h1-6,11H,7-10,12H2
InChIKeyXHBDGAUDRVMDJP-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.57
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 70730781) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
PubChem CID70730781
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESO=C(c1cccnn1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H17FN4O/c17-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16(22)15-5-2-6-18-19-15/h1-6,11H,7-10,12H2
InChIKeyXHBDGAUDRVMDJP-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279228
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(8-hydroxyquinolin-7-yl)methanone
CID 56900073
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 90484147
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 19279160

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone (CID 70730781) is [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone is O=C(c1cccnn1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is XHBDGAUDRVMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-14-4-1-3-13(11-14)12-20-7-9-21(10-8-20)16(22)15-5-2-6-18-19-15/h1-6,11H,7-10,12H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone?
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 300.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 70730781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).