1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride

C14H30Cl2N2O3 — CID 45283648

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O3.2ClH/c1-4-14(2,3)19-12-13(18)11-16-7-5-15(6-8-16)9-10-17;;/h4,13,17-18H,1,5-12H2,2-3H3;2*1H
InChIKeyNPCZANSYPNGPOB-UHFFFAOYSA-N
MW345.31 g/mol
LogP0.78
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride (PubChem CID 45283648) has the molecular formula C14H30Cl2N2O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
PubChem CID45283648
Molecular FormulaC14H30Cl2N2O3
Molecular Weight345.31 g/mol
Exact Mass344.16
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride
SMILESC=CC(C)(C)OCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C14H28N2O3.2ClH/c1-4-14(2,3)19-12-13(18)11-16-7-5-15(6-8-16)9-10-17;;/h4,13,17-18H,1,5-12H2,2-3H3;2*1H
InChIKeyNPCZANSYPNGPOB-UHFFFAOYSA-N
XLogP0.78
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(2-hydroxyethyl)piperazin-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

1-(4-Methylpiperazin-1-yl)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 18593528
1-(2-Methylbut-3-en-2-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 44117075
1-(4-Ethylpiperazin-1-yl)-3-((2-methylbut-3-en-2-yl)oxy)propan-2-ol dihydrochloride
CID 45283647
(S)-1-(1,1-dimethyl-2-propenyloxy)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2-propanol
CID 51623842
1-((2-Methylbut-3-en-2-yl)oxy)-3-morpholinopropan-2-ol hydrochloride
CID 71779612
1-(Allyloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 18593527
1-(Allyloxy)-3-(4-(2-hydroxyethyl)piperazin-1-yl)propan-2-ol dihydrochloride
CID 18593531
1-(Allyloxy)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2-propanol dihydrochloride
CID 18593532
1-[(1,1-Dimethyl-2-propen-1-yl)oxy]-3-(4-ethyl-1-piperazinyl)-2-propanol dihydrochloride
CID 44117077
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol
CID 44117078
1-But-3-en-2-yloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 91499993
1-(Allyloxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 18593529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride (CID 45283648) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride is C=CC(C)(C)OCC(O)CN1CCN(CCO)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
The InChIKey is NPCZANSYPNGPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.2ClH/c1-4-14(2,3)19-12-13(18)11-16-7-5-15(6-8-16)9-10-17;;/h4,13,17-18H,1,5-12H2,2-3H3;2*1H.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride has a molecular weight of 345.31 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methylbut-3-en-2-yloxy)propan-2-ol;dihydrochloride is sourced from PubChem (CID 45283648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).