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

C17H23FN2O2 — CID 113074079

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O2/c18-16-4-2-1-3-15(16)13-19-7-9-20(10-8-19)17(21)14-5-11-22-12-6-14/h1-4,14H,5-13H2
InChIKeyQVKBAWZUIYIARJ-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.90
Rot. Bonds3

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

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 113074079) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID113074079
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O2/c18-16-4-2-1-3-15(16)13-19-7-9-20(10-8-19)17(21)14-5-11-22-12-6-14/h1-4,14H,5-13H2
InChIKeyQVKBAWZUIYIARJ-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 95568602
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 51074617
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone (CID 113074079) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is QVKBAWZUIYIARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-16-4-2-1-3-15(16)13-19-7-9-20(10-8-19)17(21)14-5-11-22-12-6-14/h1-4,14H,5-13H2.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 306.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 113074079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).