(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol

C32H32N2O3 — CID 30732583

IUPAC(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
SMILESO[C@H](COc1ccc2oc3ccccc3c2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O3/c35-26(23-36-27-15-16-31-29(21-27)28-13-7-8-14-30(28)37-31)22-33-17-19-34(20-18-33)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-16,21,26,32,35H,17-20,22-23H2/t26-/m0/s1
InChIKeyFEZUOGZGLNJDFT-SANMLTNESA-N
MW492.62 g/mol
LogP5.73
Rot. Bonds8

About (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol

(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol (PubChem CID 30732583) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
PubChem CID30732583
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol
SMILESO[C@H](COc1ccc2oc3ccccc3c2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H32N2O3/c35-26(23-36-27-15-16-31-29(21-27)28-13-7-8-14-30(28)37-31)22-33-17-19-34(20-18-33)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-16,21,26,32,35H,17-20,22-23H2/t26-/m0/s1
InChIKeyFEZUOGZGLNJDFT-SANMLTNESA-N
XLogP5.73
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol with MolForge

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Related Compounds

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(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
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1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol dichloride
CID 21237413
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
3-[(4-benzhydrylpiperazin-1-yl)methyl]dibenzofuran-2-ol
CID 2129253
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 7689535
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol (CID 30732583) is (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol is O[C@H](COc1ccc2oc3ccccc3c2c1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol?
The InChIKey is FEZUOGZGLNJDFT-SANMLTNESA-N. The full InChI is InChI=1S/C32H32N2O3/c35-26(23-36-27-15-16-31-29(21-27)28-13-7-8-14-30(28)37-31)22-33-17-19-34(20-18-33)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-16,21,26,32,35H,17-20,22-23H2/t26-/m0/s1.
What are the key properties of (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol?
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol has a molecular weight of 492.62 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-benzhydrylpiperazin-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol is sourced from PubChem (CID 30732583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).