2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide

C16H24FN3O3 — CID 141038480

IUPAC2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(O)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O3/c17-13-1-3-15(4-2-13)23-10-5-14(21)11-19-6-8-20(9-7-19)12-16(18)22/h1-4,14,21H,5-12H2,(H2,18,22)
InChIKeyCJVUDBIOSKYWLN-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.06
Rot. Bonds8

About 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide

2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide (PubChem CID 141038480) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide
PubChem CID141038480
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC(O)CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O3/c17-13-1-3-15(4-2-13)23-10-5-14(21)11-19-6-8-20(9-7-19)12-16(18)22/h1-4,14,21H,5-12H2,(H2,18,22)
InChIKeyCJVUDBIOSKYWLN-UHFFFAOYSA-N
XLogP0.06
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide (CID 141038480) is 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(CC(O)CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide?
The InChIKey is CJVUDBIOSKYWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c17-13-1-3-15(4-2-13)23-10-5-14(21)11-19-6-8-20(9-7-19)12-16(18)22/h1-4,14,21H,5-12H2,(H2,18,22).
What are the key properties of 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide?
2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide has a molecular weight of 325.38 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenoxy)-2-hydroxybutyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 141038480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).