2-(4-piperazin-1-ylphenoxy)ethanol

C12H18N2O2 — CID 21363864

IUPAC2-(4-piperazin-1-ylphenoxy)ethanol
SMILESOCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKeyCPOICVAPALTGRB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds4

About 2-(4-piperazin-1-ylphenoxy)ethanol

2-(4-piperazin-1-ylphenoxy)ethanol (PubChem CID 21363864) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-piperazin-1-ylphenoxy)ethanol
PubChem CID21363864
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-piperazin-1-ylphenoxy)ethanol
SMILESOCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKeyCPOICVAPALTGRB-UHFFFAOYSA-N
XLogP0.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-piperazin-1-ylphenoxy)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
methyl 4-(4-piperazin-1-ylphenoxy)butanoate
CID 115410755
1-[4-(3-methylsulfonylpropoxy)phenyl]piperazine
CID 63190697
1-[4-(3,3,3-trifluoropropoxy)phenyl]-1,4-diazepane
CID 64565536
1-[4-(2-fluoropropoxy)phenyl]piperazine
CID 57025823
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
1-[4-(methoxymethoxy)phenyl]-1,4-diazepane
CID 65364808
1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
CID 106930522
CID 162335780
CID 162335780
1-(4-phenoxyphenyl)piperazine
CID 3017356
1-(2-hydroxyphenyl)-2-(4-piperazin-1-ylphenoxy)ethanone
CID 71617659

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylphenoxy)ethanol?
The IUPAC name of 2-(4-piperazin-1-ylphenoxy)ethanol (CID 21363864) is 2-(4-piperazin-1-ylphenoxy)ethanol.
What is the SMILES notation for 2-(4-piperazin-1-ylphenoxy)ethanol?
The canonical SMILES for 2-(4-piperazin-1-ylphenoxy)ethanol is OCCOc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 2-(4-piperazin-1-ylphenoxy)ethanol?
The InChIKey is CPOICVAPALTGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2.
What are the key properties of 2-(4-piperazin-1-ylphenoxy)ethanol?
2-(4-piperazin-1-ylphenoxy)ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylphenoxy)ethanol is sourced from PubChem (CID 21363864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).