1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine

C21H29N5O — CID 167969638

IUPAC1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCOC(c2cccc(-c3ccc(CN4CCC(N)CC4)nn3)c2)C1
InChIInChI=1S/C21H29N5O/c1-25-11-12-27-21(15-25)17-4-2-3-16(13-17)20-6-5-19(23-24-20)14-26-9-7-18(22)8-10-26/h2-6,13,18,21H,7-12,14-15,22H2,1H3
InChIKeyFKPNHXWBSHGIJF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.07
Rot. Bonds4

About 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine

1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine (PubChem CID 167969638) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine
PubChem CID167969638
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCOC(c2cccc(-c3ccc(CN4CCC(N)CC4)nn3)c2)C1
InChIInChI=1S/C21H29N5O/c1-25-11-12-27-21(15-25)17-4-2-3-16(13-17)20-6-5-19(23-24-20)14-26-9-7-18(22)8-10-26/h2-6,13,18,21H,7-12,14-15,22H2,1H3
InChIKeyFKPNHXWBSHGIJF-UHFFFAOYSA-N
XLogP2.07
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine (CID 167969638) is 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine is CN1CCOC(c2cccc(-c3ccc(CN4CCC(N)CC4)nn3)c2)C1.
What is the InChIKey of 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine?
The InChIKey is FKPNHXWBSHGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-25-11-12-27-21(15-25)17-4-2-3-16(13-17)20-6-5-19(23-24-20)14-26-9-7-18(22)8-10-26/h2-6,13,18,21H,7-12,14-15,22H2,1H3.
What are the key properties of 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine?
1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[3-(4-methylmorpholin-2-yl)phenyl]pyridazin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 167969638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).