1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride

C11H24Cl2N2O2 — CID 18593527

IUPAC1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-3-8-15-10-11(14)9-13-6-4-12(2)5-7-13;;/h3,11,14H,1,4-10H2,2H3;2*1H
InChIKeyDRVJJQLZTSNAGA-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.64
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride

1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride (PubChem CID 18593527) has the molecular formula C11H24Cl2N2O2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
PubChem CID18593527
Molecular FormulaC11H24Cl2N2O2
Molecular Weight287.23 g/mol
Exact Mass286.12
IUPAC Name1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C11H22N2O2.2ClH/c1-3-8-15-10-11(14)9-13-6-4-12(2)5-7-13;;/h3,11,14H,1,4-10H2,2H3;2*1H
InChIKeyDRVJJQLZTSNAGA-UHFFFAOYSA-N
XLogP0.64
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methylpiperazin-1-yl)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 18593528
1-(4-Ethylpiperazin-1-yl)-3-((2-methylbut-3-en-2-yl)oxy)propan-2-ol dihydrochloride
CID 45283647
1-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-((2-methylbut-3-en-2-yl)oxy)propan-2-ol dihydrochloride
CID 45283648
(S)-1-(1,1-dimethyl-2-propenyloxy)-3-[4-(2-hydroxyethyl)-1-piperazinyl]-2-propanol
CID 51623842
1-(Allyloxy)-3-morpholinopropan-2-ol
CID 13312052
(2-Hydroxy-3-prop-2-enoxypropyl)-trimethylazanium chloride
CID 23227966
1-(Allyloxy)-3-(dimethylamino)propan-2-ol hydrochloride
CID 3022344
1-(Dipropylamino)-3-(prop-2-en-1-yloxy)propan-2-ol
CID 261295
1-Piperidin-1-yl-3-prop-2-enoxypropan-2-ol
CID 316365
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
Ethyl 4-(3-(allyloxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride
CID 18593551

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride (CID 18593527) is 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride is C=CCOCC(O)CN1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The InChIKey is DRVJJQLZTSNAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.2ClH/c1-3-8-15-10-11(14)9-13-6-4-12(2)5-7-13;;/h3,11,14H,1,4-10H2,2H3;2*1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride has a molecular weight of 287.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 18593527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).