1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone

C18H20N2O3 — CID 78777397

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H20N2O3/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)18(22)14-23-17-4-2-1-3-5-17/h1-9,21H,10-14H2
InChIKeySOKWAQDMVUMRKD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 78777397) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID78777397
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H20N2O3/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)18(22)14-23-17-4-2-1-3-5-17/h1-9,21H,10-14H2
InChIKeySOKWAQDMVUMRKD-UHFFFAOYSA-N
XLogP2.12
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone (CID 78777397) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is SOKWAQDMVUMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-8-6-15(7-9-16)19-10-12-20(13-11-19)18(22)14-23-17-4-2-1-3-5-17/h1-9,21H,10-14H2.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 312.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 78777397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).