[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C14H18FN3O2 — CID 95242996

IUPAC[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1
InChIKeyVFSVGONAPNMQIB-LLVKDONJSA-N
MW279.31 g/mol
LogP1.05
Rot. Bonds2

About [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 95242996) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID95242996
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1
InChIKeyVFSVGONAPNMQIB-LLVKDONJSA-N
XLogP1.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 163352851

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 95242996) is [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is VFSVGONAPNMQIB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2/t11-/m1/s1.
What are the key properties of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 279.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 95242996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).