phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate

C20H24N2O3 — CID 59382148

IUPACphenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)15-16-24-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyZWAKMSPQKQVEGN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.29
Rot. Bonds7

About phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate

phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate (PubChem CID 59382148) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namephenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
PubChem CID59382148
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namephenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
SMILESO=C(CN1CCN(CCOc2ccccc2)CC1)Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)15-16-24-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyZWAKMSPQKQVEGN-UHFFFAOYSA-N
XLogP2.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 30986083
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
phenyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
CID 58136138
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
phenyl 2-(3-bromo-4-methylpiperazin-1-yl)acetate
CID 146272538

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate?
The IUPAC name of phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate (CID 59382148) is phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate.
What is the SMILES notation for phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate?
The canonical SMILES for phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate is O=C(CN1CCN(CCOc2ccccc2)CC1)Oc1ccccc1.
What is the InChIKey of phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate?
The InChIKey is ZWAKMSPQKQVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(25-19-9-5-2-6-10-19)17-22-13-11-21(12-14-22)15-16-24-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate?
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 59382148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).