1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride

C14H30Cl2N2O2 — CID 45283647

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16;;/h5,13,17H,1,6-12H2,2-4H3;2*1H
InChIKeySJPRJKPARZBHBR-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.81
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride

1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride (PubChem CID 45283647) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
PubChem CID45283647
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16;;/h5,13,17H,1,6-12H2,2-4H3;2*1H
InChIKeySJPRJKPARZBHBR-UHFFFAOYSA-N
XLogP1.81
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride 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

CID 18593528
CID 18593528
CID 44117075
CID 44117075
CID 45283648
CID 45283648
CID 51623842
CID 51623842
CID 71779612
CID 71779612
CID 18593527
CID 18593527
CID 18593531
CID 18593531
CID 18593532
CID 18593532
CID 44117077
CID 44117077
CID 44117078
CID 44117078
CID 91499993
CID 91499993
CID 18593529
CID 18593529

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride (CID 45283647) is 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride is C=CC(C)(C)OCC(O)CN1CCN(CC)CC1.Cl.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The InChIKey is SJPRJKPARZBHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-5-14(3,4)18-12-13(17)11-16-9-7-15(6-2)8-10-16;;/h5,13,17H,1,6-12H2,2-4H3;2*1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride is sourced from PubChem (CID 45283647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).