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

C12H24N2O3 — CID 18593532

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN1CCN(CCO)CC1
InChIInChI=1S/C12H24N2O3/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
InChIKeyZWRWSPZPKIVFPF-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.84
Rot. Bonds8

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

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol (PubChem CID 18593532) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
PubChem CID18593532
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN1CCN(CCO)CC1
InChIInChI=1S/C12H24N2O3/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
InChIKeyZWRWSPZPKIVFPF-UHFFFAOYSA-N
XLogP-0.84
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.84
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol (CID 18593532) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The InChIKey is ZWRWSPZPKIVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/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.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol has a molecular weight of 244.33 g/mol, XLogP of -0.84, 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 is sourced from PubChem (CID 18593532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).