2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid

C21H26N2O3 — CID 174365848

IUPAC2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
SMILESCOc1ccccc1N1CCN(CCc2ccccc2CC(=O)O)CC1
InChIInChI=1S/C21H26N2O3/c1-26-20-9-5-4-8-19(20)23-14-12-22(13-15-23)11-10-17-6-2-3-7-18(17)16-21(24)25/h2-9H,10-16H2,1H3,(H,24,25)
InChIKeyFHNIYIGRPOYVNI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.69
Rot. Bonds7

About 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid

2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid (PubChem CID 174365848) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
PubChem CID174365848
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
SMILESCOc1ccccc1N1CCN(CCc2ccccc2CC(=O)O)CC1
InChIInChI=1S/C21H26N2O3/c1-26-20-9-5-4-8-19(20)23-14-12-22(13-15-23)11-10-17-6-2-3-7-18(17)16-21(24)25/h2-9H,10-16H2,1H3,(H,24,25)
InChIKeyFHNIYIGRPOYVNI-UHFFFAOYSA-N
XLogP2.69
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
2-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-thiophen-2-ylpyrazol-1-yl]acetic acid;dihydrochloride
CID 139743809
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
N-[(2-hydroxyphenyl)methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 162643558
butanedioic acid;1-[[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
CID 46905409
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
N'-(2-ethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268863

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid (CID 174365848) is 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid is COc1ccccc1N1CCN(CCc2ccccc2CC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid?
The InChIKey is FHNIYIGRPOYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-26-20-9-5-4-8-19(20)23-14-12-22(13-15-23)11-10-17-6-2-3-7-18(17)16-21(24)25/h2-9H,10-16H2,1H3,(H,24,25).
What are the key properties of 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid?
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid has a molecular weight of 354.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid is sourced from PubChem (CID 174365848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).