[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone

C17H24FN3O2 — CID 119888881

IUPAC[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C17H24FN3O2/c1-23-16-11-14(18)4-5-15(16)20-7-9-21(10-8-20)17(22)13-3-2-6-19-12-13/h4-5,11,13,19H,2-3,6-10,12H2,1H3
InChIKeyNXKAWTUVTHIIPR-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.48
Rot. Bonds3

About [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119888881) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID119888881
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C17H24FN3O2/c1-23-16-11-14(18)4-5-15(16)20-7-9-21(10-8-20)17(22)13-3-2-6-19-12-13/h4-5,11,13,19H,2-3,6-10,12H2,1H3
InChIKeyNXKAWTUVTHIIPR-UHFFFAOYSA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
[4-(2-ethoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119827264
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401856
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 124628305
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 124686188
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888900

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 119888881) is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone is COc1cc(F)ccc1N1CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is NXKAWTUVTHIIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-23-16-11-14(18)4-5-15(16)20-7-9-21(10-8-20)17(22)13-3-2-6-19-12-13/h4-5,11,13,19H,2-3,6-10,12H2,1H3.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 321.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119888881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).