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

C14H20N2O3 — CID 57285228

IUPAC2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccccc2CCO)CC1
InChIInChI=1S/C14H20N2O3/c17-10-5-12-3-1-2-4-13(12)16-8-6-15(7-9-16)11-14(18)19/h1-4,17H,5-11H2,(H,18,19)
InChIKeyJPCHCOREPYNMHA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.43
Rot. Bonds5

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

2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid (PubChem CID 57285228) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid
PubChem CID57285228
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2ccccc2CCO)CC1
InChIInChI=1S/C14H20N2O3/c17-10-5-12-3-1-2-4-13(12)16-8-6-15(7-9-16)11-14(18)19/h1-4,17H,5-11H2,(H,18,19)
InChIKeyJPCHCOREPYNMHA-UHFFFAOYSA-N
XLogP0.43
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanol
CID 67827124
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
4-[2-(aziridin-1-yl)phenyl]-3-methylbutane-1,3-diol
CID 88844741
2-[4-(3-fluoro-2-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824669
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid (CID 57285228) is 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2ccccc2CCO)CC1.
What is the InChIKey of 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid?
The InChIKey is JPCHCOREPYNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-5-12-3-1-2-4-13(12)16-8-6-15(7-9-16)11-14(18)19/h1-4,17H,5-11H2,(H,18,19).
What are the key properties of 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyethyl)phenyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 57285228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).