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

C12H24N2O2 — CID 29124519

IUPAC(2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC[C@H](O)CN1CCN(CC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14/h3,12,15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyWMUURRTYIIIZHC-GFCCVEGCSA-N
MW228.34 g/mol
LogP0.19
Rot. Bonds7

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

(2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol (PubChem CID 29124519) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol
PubChem CID29124519
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOC[C@H](O)CN1CCN(CC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14/h3,12,15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyWMUURRTYIIIZHC-GFCCVEGCSA-N
XLogP0.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol (CID 29124519) is (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol is C=CCOC[C@H](O)CN1CCN(CC)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol?
The InChIKey is WMUURRTYIIIZHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-16-11-12(15)10-14-7-5-13(4-2)6-8-14/h3,12,15H,1,4-11H2,2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol?
(2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylpiperazin-1-yl)-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 29124519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).