1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine

C20H25FN4O — CID 146240935

IUPAC1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine
SMILESNC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1
InChIInChI=1S/C20H25FN4O/c21-16-7-5-14(6-8-16)15-11-18(25-10-2-3-17(22)13-25)19(12-15)26-20-4-1-9-23-24-20/h1,4-9,15,17-19H,2-3,10-13,22H2
InChIKeyIKQBZXOTMPFTSS-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine

1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine (PubChem CID 146240935) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine
PubChem CID146240935
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine
SMILESNC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1
InChIInChI=1S/C20H25FN4O/c21-16-7-5-14(6-8-16)15-11-18(25-10-2-3-17(22)13-25)19(12-15)26-20-4-1-9-23-24-20/h1,4-9,15,17-19H,2-3,10-13,22H2
InChIKeyIKQBZXOTMPFTSS-UHFFFAOYSA-N
XLogP2.73
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine (CID 146240935) is 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine is NC1CCCN(C2CC(c3ccc(F)cc3)CC2Oc2cccnn2)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine?
The InChIKey is IKQBZXOTMPFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-7-5-14(6-8-16)15-11-18(25-10-2-3-17(22)13-25)19(12-15)26-20-4-1-9-23-24-20/h1,4-9,15,17-19H,2-3,10-13,22H2.
What are the key properties of 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine?
1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine has a molecular weight of 356.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-2-pyridazin-3-yloxycyclopentyl]piperidin-3-amine is sourced from PubChem (CID 146240935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).