2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid

C15H22N2O3 — CID 140993599

IUPAC2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid
SMILESCC(OCC(=O)O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-13(20-12-15(18)19)17-9-7-16(8-10-17)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19)
InChIKeyAEMXPNOTXOHAPM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds6

About 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid

2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid (PubChem CID 140993599) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid
PubChem CID140993599
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid
SMILESCC(OCC(=O)O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3/c1-13(20-12-15(18)19)17-9-7-16(8-10-17)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19)
InChIKeyAEMXPNOTXOHAPM-UHFFFAOYSA-N
XLogP1.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
CID 174615690
1-[4-(1-benzyl-4-methylpiperidin-4-yl)piperazin-1-yl]ethyl acetate
CID 174577813
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid (CID 140993599) is 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid is CC(OCC(=O)O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid?
The InChIKey is AEMXPNOTXOHAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13(20-12-15(18)19)17-9-7-16(8-10-17)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid?
2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-benzylpiperazin-1-yl)ethoxy]acetic acid is sourced from PubChem (CID 140993599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).