2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol

C25H28N2O3 — CID 27732487

IUPAC2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N2O3/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-9-25(24)29)19-30-23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-13,22,28-29H,14-19H2/t22-/m1/s1
InChIKeyVVZXOWRISPLFAZ-JOCHJYFZSA-N
MW404.51 g/mol
LogP3.62
Rot. Bonds7

About 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol

2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol (PubChem CID 27732487) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
PubChem CID27732487
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H28N2O3/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-9-25(24)29)19-30-23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-13,22,28-29H,14-19H2/t22-/m1/s1
InChIKeyVVZXOWRISPLFAZ-JOCHJYFZSA-N
XLogP3.62
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenol
CID 29404375
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
2-[4-[3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperazin-1-yl]phenol
CID 132522010
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 30930129
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 51312086
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol (CID 27732487) is 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol?
The InChIKey is VVZXOWRISPLFAZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-9-25(24)29)19-30-23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-13,22,28-29H,14-19H2/t22-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol?
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol has a molecular weight of 404.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol is sourced from PubChem (CID 27732487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).