N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine

C24H27FN4 — CID 10949178

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C24H27FN4/c25-22-8-6-21(7-9-22)23-10-11-24(28-27-23)26-15-12-19-13-16-29(17-14-19)18-20-4-2-1-3-5-20/h1-11,19H,12-18H2,(H,26,28)
InChIKeyRCEQSTHPZKPSQE-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.00
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine (PubChem CID 10949178) has the molecular formula C24H27FN4 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
PubChem CID10949178
Molecular FormulaC24H27FN4
Molecular Weight390.51 g/mol
Exact Mass390.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
SMILESFc1ccc(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C24H27FN4/c25-22-8-6-21(7-9-22)23-10-11-24(28-27-23)26-15-12-19-13-16-29(17-14-19)18-20-4-2-1-3-5-20/h1-11,19H,12-18H2,(H,26,28)
InChIKeyRCEQSTHPZKPSQE-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine (CID 10949178) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine is Fc1ccc(-c2ccc(NCCC3CCN(Cc4ccccc4)CC3)nn2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine?
The InChIKey is RCEQSTHPZKPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4/c25-22-8-6-21(7-9-22)23-10-11-24(28-27-23)26-15-12-19-13-16-29(17-14-19)18-20-4-2-1-3-5-20/h1-11,19H,12-18H2,(H,26,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine has a molecular weight of 390.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine is sourced from PubChem (CID 10949178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).