1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride

C22H27Cl2FN2O2-2 — CID 46863768

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride
SMILESC=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1.[Cl-].[Cl-]
InChIInChI=1S/C22H27FN2O2.2ClH/c1-2-7-18-8-3-6-11-22(18)27-17-19(26)16-24-12-14-25(15-13-24)21-10-5-4-9-20(21)23;;/h2-6,8-11,19,26H,1,7,12-17H2;2*1H/p-2
InChIKeyNJRFWIUZLKUMBG-UHFFFAOYSA-L
MW441.37 g/mol
LogP-2.88
Rot. Bonds8

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride (PubChem CID 46863768) has the molecular formula C22H27Cl2FN2O2-2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride
PubChem CID46863768
Molecular FormulaC22H27Cl2FN2O2-2
Molecular Weight441.37 g/mol
Exact Mass440.14
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride
SMILESC=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1.[Cl-].[Cl-]
InChIInChI=1S/C22H27FN2O2.2ClH/c1-2-7-18-8-3-6-11-22(18)27-17-19(26)16-24-12-14-25(15-13-24)21-10-5-4-9-20(21)23;;/h2-6,8-11,19,26H,1,7,12-17H2;2*1H/p-2
InChIKeyNJRFWIUZLKUMBG-UHFFFAOYSA-L
XLogP-2.88
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770383
(2R)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 6981428
1-(4-benzylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2770396
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
1-(2,3-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 18807413
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959643
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651
1-(2,6-dimethylmorpholin-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol chloride
CID 21236664
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propane-2-thiol
CID 3401114
1-[2-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 57400740
1-(2,3-dihydroindol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959543

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride (CID 46863768) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride is C=CCc1ccccc1OCC(O)CN1CCN(c2ccccc2F)CC1.[Cl-].[Cl-].
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride?
The InChIKey is NJRFWIUZLKUMBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H27FN2O2.2ClH/c1-2-7-18-8-3-6-11-22(18)27-17-19(26)16-24-12-14-25(15-13-24)21-10-5-4-9-20(21)23;;/h2-6,8-11,19,26H,1,7,12-17H2;2*1H/p-2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride has a molecular weight of 441.37 g/mol, XLogP of -2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol dichloride is sourced from PubChem (CID 46863768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).