4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid

C16H24N2O3 — CID 119134542

IUPAC4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c19-16(20)7-4-8-17-9-11-18(12-10-17)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,20)
InChIKeyKJRLZDPFWLUWJE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds8

About 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid

4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid (PubChem CID 119134542) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
PubChem CID119134542
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3/c19-16(20)7-4-8-17-9-11-18(12-10-17)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,20)
InChIKeyKJRLZDPFWLUWJE-UHFFFAOYSA-N
XLogP1.55
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
4-[6-(2-phenoxyethoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoic acid
CID 137442291
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
9-phenoxynonanoic acid
CID 15887638
4-(4-phenoxypiperidin-1-yl)butanoic acid
CID 119134907
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid (CID 119134542) is 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid?
The InChIKey is KJRLZDPFWLUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16(20)7-4-8-17-9-11-18(12-10-17)13-14-21-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,19,20).
What are the key properties of 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid?
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 119134542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).