2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H19FN2O2 — CID 22578422

IUPAC2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,13H,9-12,14H2
InChIKeyLXEMEEXYSCXKBK-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.95
Rot. Bonds2

About 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 22578422) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID22578422
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,13H,9-12,14H2
InChIKeyLXEMEEXYSCXKBK-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 22578422) is 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LXEMEEXYSCXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-17-5-7-18(8-6-17)22-9-11-23(12-10-22)20(24)16-13-15-3-1-2-4-19(15)25-14-16/h1-8,13H,9-12,14H2.
What are the key properties of 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 338.38 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22578422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).