1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one

C18H26FN3O2 — CID 110884135

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC(O)C1
InChIInChI=1S/C18H26FN3O2/c1-14(22-8-2-3-17(23)13-22)18(24)21-11-9-20(10-12-21)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3
InChIKeyFZRLJDZRERJJOR-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.32
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 110884135) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID110884135
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC(O)C1
InChIInChI=1S/C18H26FN3O2/c1-14(22-8-2-3-17(23)13-22)18(24)21-11-9-20(10-12-21)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3
InChIKeyFZRLJDZRERJJOR-UHFFFAOYSA-N
XLogP1.32
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one (CID 110884135) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC(O)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is FZRLJDZRERJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(22-8-2-3-17(23)13-22)18(24)21-11-9-20(10-12-21)16-6-4-15(19)5-7-16/h4-7,14,17,23H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 335.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110884135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).