2-(4-benzylpiperazin-1-yl)ethyl benzoate

C20H24N2O2 — CID 24842101

IUPAC2-(4-benzylpiperazin-1-yl)ethyl benzoate
SMILESO=C(OCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(19-9-5-2-6-10-19)24-16-15-21-11-13-22(14-12-21)17-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyGKTIHQQVDQUROA-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)ethyl benzoate

2-(4-benzylpiperazin-1-yl)ethyl benzoate (PubChem CID 24842101) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)ethyl benzoate.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)ethyl benzoate
PubChem CID24842101
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-benzylpiperazin-1-yl)ethyl benzoate
SMILESO=C(OCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(19-9-5-2-6-10-19)24-16-15-21-11-13-22(14-12-21)17-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyGKTIHQQVDQUROA-UHFFFAOYSA-N
XLogP2.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-benzoyloxypropyl)piperazin-1-yl]propyl benzoate
CID 50896875
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
(Z)-but-2-enedioic acid;bis(2-piperazin-1-ylethyl benzoate)
CID 174331907
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-benzyl-4-[2-(trifluoromethoxy)ethyl]piperazine
CID 90105371
2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl 4-chlorobenzoate
CID 15943858
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)ethyl benzoate?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)ethyl benzoate (CID 24842101) is 2-(4-benzylpiperazin-1-yl)ethyl benzoate.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)ethyl benzoate?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)ethyl benzoate is O=C(OCCN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)ethyl benzoate?
The InChIKey is GKTIHQQVDQUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(19-9-5-2-6-10-19)24-16-15-21-11-13-22(14-12-21)17-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)ethyl benzoate?
2-(4-benzylpiperazin-1-yl)ethyl benzoate has a molecular weight of 324.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)ethyl benzoate is sourced from PubChem (CID 24842101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).