4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol

C16H26N2O2 — CID 64977805

IUPAC4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
SMILESCCC1CN(C(C)c2ccc(O)cc2O)C(CC)CN1
InChIInChI=1S/C16H26N2O2/c1-4-12-10-18(13(5-2)9-17-12)11(3)15-7-6-14(19)8-16(15)20/h6-8,11-13,17,19-20H,4-5,9-10H2,1-3H3
InChIKeyBGXWDWHLHAOJPX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.62
Rot. Bonds4

About 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol

4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol (PubChem CID 64977805) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
PubChem CID64977805
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
SMILESCCC1CN(C(C)c2ccc(O)cc2O)C(CC)CN1
InChIInChI=1S/C16H26N2O2/c1-4-12-10-18(13(5-2)9-17-12)11(3)15-7-6-14(19)8-16(15)20/h6-8,11-13,17,19-20H,4-5,9-10H2,1-3H3
InChIKeyBGXWDWHLHAOJPX-UHFFFAOYSA-N
XLogP2.62
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol (CID 64977805) is 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol is CCC1CN(C(C)c2ccc(O)cc2O)C(CC)CN1.
What is the InChIKey of 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol?
The InChIKey is BGXWDWHLHAOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-12-10-18(13(5-2)9-17-12)11(3)15-7-6-14(19)8-16(15)20/h6-8,11-13,17,19-20H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol?
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol has a molecular weight of 278.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 64977805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).