(4-piperazin-1-ylphenyl) butanoate

C14H20N2O2 — CID 123824502

IUPAC(4-piperazin-1-ylphenyl) butanoate
SMILESCCCC(=O)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-14(17)18-13-6-4-12(5-7-13)16-10-8-15-9-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyUSPHGRLYPNZGFJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds4

About (4-piperazin-1-ylphenyl) butanoate

(4-piperazin-1-ylphenyl) butanoate (PubChem CID 123824502) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-piperazin-1-ylphenyl) butanoate.

Molecular Properties

Compound Name(4-piperazin-1-ylphenyl) butanoate
PubChem CID123824502
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-piperazin-1-ylphenyl) butanoate
SMILESCCCC(=O)Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-14(17)18-13-6-4-12(5-7-13)16-10-8-15-9-11-16/h4-7,15H,2-3,8-11H2,1H3
InChIKeyUSPHGRLYPNZGFJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-piperazin-1-ylphenoxy)butanoate
CID 115410755
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl] pentanoate
CID 134216719
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
[4-(3-oxopyrrolidin-1-yl)phenyl] pentanoate
CID 70331616
1-[4-[4-oxo-4-phenoxy-1-(sulfinatoamino)butoxy]phenyl]piperazine
CID 57023487
butyl 4-piperazin-1-ylbenzoate;ethyl 4-piperazin-1-ylbenzoate
CID 158696483
phenyl butanoate
CID 20354
[4-(1,3-dioxoisoindol-2-yl)phenyl] butanoate
CID 19184411
hydroxy-methyl-(4-piperazin-1-ylphenyl)sulfanium
CID 143288996
[4-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]phenyl] butanoate
CID 70203770
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864

Frequently Asked Questions

What is the IUPAC name of (4-piperazin-1-ylphenyl) butanoate?
The IUPAC name of (4-piperazin-1-ylphenyl) butanoate (CID 123824502) is (4-piperazin-1-ylphenyl) butanoate.
What is the SMILES notation for (4-piperazin-1-ylphenyl) butanoate?
The canonical SMILES for (4-piperazin-1-ylphenyl) butanoate is CCCC(=O)Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of (4-piperazin-1-ylphenyl) butanoate?
The InChIKey is USPHGRLYPNZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-14(17)18-13-6-4-12(5-7-13)16-10-8-15-9-11-16/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of (4-piperazin-1-ylphenyl) butanoate?
(4-piperazin-1-ylphenyl) butanoate has a molecular weight of 248.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperazin-1-ylphenyl) butanoate is sourced from PubChem (CID 123824502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).