10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine

C23H21F2N3O — CID 154935327

IUPAC10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine
SMILESFc1cc(F)cc(N2CCN(CN3c4ccccc4Oc4ccccc43)CC2)c1
InChIInChI=1S/C23H21F2N3O/c24-17-13-18(25)15-19(14-17)27-11-9-26(10-12-27)16-28-20-5-1-3-7-22(20)29-23-8-4-2-6-21(23)28/h1-8,13-15H,9-12,16H2
InChIKeyAMFGEELOPBRRDV-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.99
Rot. Bonds3

About 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine

10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine (PubChem CID 154935327) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine.

Molecular Properties

Compound Name10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine
PubChem CID154935327
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine
SMILESFc1cc(F)cc(N2CCN(CN3c4ccccc4Oc4ccccc43)CC2)c1
InChIInChI=1S/C23H21F2N3O/c24-17-13-18(25)15-19(14-17)27-11-9-26(10-12-27)16-28-20-5-1-3-7-22(20)29-23-8-4-2-6-21(23)28/h1-8,13-15H,9-12,16H2
InChIKeyAMFGEELOPBRRDV-UHFFFAOYSA-N
XLogP4.99
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine?
The IUPAC name of 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine (CID 154935327) is 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine.
What is the SMILES notation for 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine?
The canonical SMILES for 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine is Fc1cc(F)cc(N2CCN(CN3c4ccccc4Oc4ccccc43)CC2)c1.
What is the InChIKey of 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine?
The InChIKey is AMFGEELOPBRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c24-17-13-18(25)15-19(14-17)27-11-9-26(10-12-27)16-28-20-5-1-3-7-22(20)29-23-8-4-2-6-21(23)28/h1-8,13-15H,9-12,16H2.
What are the key properties of 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine?
10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine has a molecular weight of 393.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[4-(3,5-difluorophenyl)piperazin-1-yl]methyl]phenoxazine is sourced from PubChem (CID 154935327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).