1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride

C12H26Cl2N2O3 — CID 18593531

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O3.2ClH/c1-2-9-17-11-12(16)10-14-5-3-13(4-6-14)7-8-15;;/h2,12,15-16H,1,3-11H2;2*1H
InChIKeyCGNICIWJRBGJAD-UHFFFAOYSA-N
MW317.26 g/mol
LogP0.00
Rot. Bonds8

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride (PubChem CID 18593531) has the molecular formula C12H26Cl2N2O3 and a molecular weight of 317.26 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride
PubChem CID18593531
Molecular FormulaC12H26Cl2N2O3
Molecular Weight317.26 g/mol
Exact Mass316.13
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride
SMILESC=CCOCC(O)CN1CCN(CCO)CC1.Cl.Cl
InChIInChI=1S/C12H24N2O3.2ClH/c1-2-9-17-11-12(16)10-14-5-3-13(4-6-14)7-8-15;;/h2,12,15-16H,1,3-11H2;2*1H
InChIKeyCGNICIWJRBGJAD-UHFFFAOYSA-N
XLogP0.00
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 316365
CID 316365
CID 18593527
CID 18593527
CID 18593532
CID 18593532
CID 44117077
CID 44117077
CID 44117078
CID 44117078
CID 91499993
CID 91499993
CID 140264877
CID 140264877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride (CID 18593531) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride is C=CCOCC(O)CN1CCN(CCO)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride?
The InChIKey is CGNICIWJRBGJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.2ClH/c1-2-9-17-11-12(16)10-14-5-3-13(4-6-14)7-8-15;;/h2,12,15-16H,1,3-11H2;2*1H.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol;dihydrochloride has a molecular weight of 317.26 g/mol, XLogP of 0.00, 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-prop-2-enoxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 18593531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).