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

C12H26Cl2N2O2 — CID 18593529

IUPAC1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O2.2ClH/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14;;/h3,12,15H,1,4-11H2,2H3;2*1H
InChIKeyJSLPKAHYUNLUTH-UHFFFAOYSA-N
MW301.26 g/mol
LogP1.03
Rot. Bonds7

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

1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride (PubChem CID 18593529) has the molecular formula C12H26Cl2N2O2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
PubChem CID18593529
Molecular FormulaC12H26Cl2N2O2
Molecular Weight301.26 g/mol
Exact Mass300.14
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(CC)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O2.2ClH/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14;;/h3,12,15H,1,4-11H2,2H3;2*1H
InChIKeyJSLPKAHYUNLUTH-UHFFFAOYSA-N
XLogP1.03
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 51.03
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

CID 18593528
CID 18593528
CID 45283647
CID 45283647
CID 45283648
CID 45283648
CID 51623842
CID 51623842
CID 13312052
CID 13312052
CID 23227966
CID 23227966
CID 3022344
CID 3022344
CID 261295
CID 261295
CID 316365
CID 316365
CID 18593527
CID 18593527
CID 18593531
CID 18593531
CID 18593532
CID 18593532

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride (CID 18593529) is 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride is C=CCOCC(O)CN1CCN(CC)CC1.Cl.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The InChIKey is JSLPKAHYUNLUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.2ClH/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14;;/h3,12,15H,1,4-11H2,2H3;2*1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride?
1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol;dihydrochloride has a molecular weight of 301.26 g/mol, XLogP of 1.03, 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-prop-2-enoxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 18593529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).