[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone

C20H22FN3O2 — CID 164635489

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone
SMILESO=C([C@H]1CCO[C@@H]1c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-1-3-17(4-2-16)23-10-12-24(13-11-23)20(25)18-7-14-26-19(18)15-5-8-22-9-6-15/h1-6,8-9,18-19H,7,10-14H2/t18-,19+/m0/s1
InChIKeyQPEQLIJZUKKGBT-RBUKOAKNSA-N
MW355.41 g/mol
LogP2.65
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone (PubChem CID 164635489) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone
PubChem CID164635489
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone
SMILESO=C([C@H]1CCO[C@@H]1c1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O2/c21-16-1-3-17(4-2-16)23-10-12-24(13-11-23)20(25)18-7-14-26-19(18)15-5-8-22-9-6-15/h1-6,8-9,18-19H,7,10-14H2/t18-,19+/m0/s1
InChIKeyQPEQLIJZUKKGBT-RBUKOAKNSA-N
XLogP2.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone (CID 164635489) is [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone is O=C([C@H]1CCO[C@@H]1c1ccncc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone?
The InChIKey is QPEQLIJZUKKGBT-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-1-3-17(4-2-16)23-10-12-24(13-11-23)20(25)18-7-14-26-19(18)15-5-8-22-9-6-15/h1-6,8-9,18-19H,7,10-14H2/t18-,19+/m0/s1.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone has a molecular weight of 355.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[(2S,3S)-2-pyridin-4-yloxolan-3-yl]methanone is sourced from PubChem (CID 164635489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).