1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

C25H26N2O3 — CID 3258806

IUPAC1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc2oc3ccccc3c2c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3/c28-20(17-26-12-14-27(15-13-26)19-6-2-1-3-7-19)18-29-21-10-11-25-23(16-21)22-8-4-5-9-24(22)30-25/h1-11,16,20,28H,12-15,17-18H2
InChIKeyADUKAVBMAPRTDS-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.15
Rot. Bonds6

About 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 3258806) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID3258806
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESOC(COc1ccc2oc3ccccc3c2c1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3/c28-20(17-26-12-14-27(15-13-26)19-6-2-1-3-7-19)18-29-21-10-11-25-23(16-21)22-8-4-5-9-24(22)30-25/h1-11,16,20,28H,12-15,17-18H2
InChIKeyADUKAVBMAPRTDS-UHFFFAOYSA-N
XLogP4.15
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
CID 30732583
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2S)-1-dibenzofuran-2-yloxy-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7745763
1-(3,4-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2882985
1-(6-bromonaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2949531
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 3258806) is 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is OC(COc1ccc2oc3ccccc3c2c1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is ADUKAVBMAPRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-20(17-26-12-14-27(15-13-26)19-6-2-1-3-7-19)18-29-21-10-11-25-23(16-21)22-8-4-5-9-24(22)30-25/h1-11,16,20,28H,12-15,17-18H2.
What are the key properties of 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 402.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yloxy-3-(4-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 3258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).