3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid

C15H22N2O3 — CID 64565025

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(15(19)20)13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,20)
InChIKeyJRBBCSPBCWHFED-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.46
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid (PubChem CID 64565025) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
PubChem CID64565025
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
SMILESO=C(O)C(CN1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(15(19)20)13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,20)
InChIKeyJRBBCSPBCWHFED-UHFFFAOYSA-N
XLogP0.46
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
2-phenyl-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 19433570
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropanoic acid
CID 63073351
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228
3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-phenylpropanoic acid
CID 14097038
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 117243308
(3S)-3-(4-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-2-one
CID 66767699
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
CID 139019737
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid (CID 64565025) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid is O=C(O)C(CN1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid?
The InChIKey is JRBBCSPBCWHFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-11-10-16-6-8-17(9-7-16)12-14(15(19)20)13-4-2-1-3-5-13/h1-5,14,18H,6-12H2,(H,19,20).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid is sourced from PubChem (CID 64565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).