2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone

C16H22FN3O2 — CID 651499

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-7-5-18(6-8-19)13-16(21)20-9-11-22-12-10-20/h1-4H,5-13H2
InChIKeyNUVAPEBEMORCRO-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.81
Rot. Bonds3

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 651499) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID651499
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-7-5-18(6-8-19)13-16(21)20-9-11-22-12-10-20/h1-4H,5-13H2
InChIKeyNUVAPEBEMORCRO-UHFFFAOYSA-N
XLogP0.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 651499) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NUVAPEBEMORCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-7-5-18(6-8-19)13-16(21)20-9-11-22-12-10-20/h1-4H,5-13H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 307.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 651499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).