4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine

C19H23F2N5O — CID 154580855

IUPAC4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESFc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1F
InChIInChI=1S/C19H23F2N5O/c20-16-2-1-15(13-17(16)21)14-24-5-7-25(8-6-24)18-3-4-19(23-22-18)26-9-11-27-12-10-26/h1-4,13H,5-12,14H2
InChIKeyYVLVMDKEFLNEDA-UHFFFAOYSA-N
MW375.42 g/mol
LogP1.91
Rot. Bonds4

About 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine

4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine (PubChem CID 154580855) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine
PubChem CID154580855
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC Name4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine
SMILESFc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1F
InChIInChI=1S/C19H23F2N5O/c20-16-2-1-15(13-17(16)21)14-24-5-7-25(8-6-24)18-3-4-19(23-22-18)26-9-11-27-12-10-26/h1-4,13H,5-12,14H2
InChIKeyYVLVMDKEFLNEDA-UHFFFAOYSA-N
XLogP1.91
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine (CID 154580855) is 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine is Fc1ccc(CN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1F.
What is the InChIKey of 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
The InChIKey is YVLVMDKEFLNEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c20-16-2-1-15(13-17(16)21)14-24-5-7-25(8-6-24)18-3-4-19(23-22-18)26-9-11-27-12-10-26/h1-4,13H,5-12,14H2.
What are the key properties of 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine?
4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine has a molecular weight of 375.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 154580855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).