[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C15H19FN2O2 — CID 3513759

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O2/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h3-6,14H,1-2,7-11H2
InChIKeyJEQOHNPGACHACZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.65
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 3513759) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID3513759
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O2/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h3-6,14H,1-2,7-11H2
InChIKeyJEQOHNPGACHACZ-UHFFFAOYSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
oxolan-2-yl-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 110662200
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 3513759) is [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is JEQOHNPGACHACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h3-6,14H,1-2,7-11H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 3513759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).