1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

C22H28N2O2 — CID 3296216

IUPAC1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-8-19-9-6-7-12-22(19)26-18-21(25)17-23-13-15-24(16-14-23)20-10-4-3-5-11-20/h2-7,9-12,21,25H,1,8,13-18H2
InChIKeyJTFGCEVZUXFNIO-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.98
Rot. Bonds8

About 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (PubChem CID 3296216) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
PubChem CID3296216
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
SMILESC=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c1-2-8-19-9-6-7-12-22(19)26-18-21(25)17-23-13-15-24(16-14-23)20-10-4-3-5-11-20/h2-7,9-12,21,25H,1,8,13-18H2
InChIKeyJTFGCEVZUXFNIO-UHFFFAOYSA-N
XLogP2.98
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol (CID 3296216) is 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is C=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
The InChIKey is JTFGCEVZUXFNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-8-19-9-6-7-12-22(19)26-18-21(25)17-23-13-15-24(16-14-23)20-10-4-3-5-11-20/h2-7,9-12,21,25H,1,8,13-18H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol?
1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol has a molecular weight of 352.48 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol is sourced from PubChem (CID 3296216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).