(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

C26H30N2O2 — CID 991009

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESO[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c29-25(20-28-17-15-27(16-18-28)19-22-7-3-1-4-8-22)21-30-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-14,25,29H,15-21H2/t25-/m1/s1
InChIKeyHPCOUMLRYSZTCR-RUZDIDTESA-N
MW402.54 g/mol
LogP3.91
Rot. Bonds8

About (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol

(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 991009) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
PubChem CID991009
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
SMILESO[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2/c29-25(20-28-17-15-27(16-18-28)19-22-7-3-1-4-8-22)21-30-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-14,25,29H,15-21H2/t25-/m1/s1
InChIKeyHPCOUMLRYSZTCR-RUZDIDTESA-N
XLogP3.91
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 18593233
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 1109343
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol;dihydrochloride
CID 2867039
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
[4-[(2S)-3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-(4-chlorophenyl)methanone
CID 28822766
N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
CID 24596406
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol (CID 991009) is (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is HPCOUMLRYSZTCR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O2/c29-25(20-28-17-15-27(16-18-28)19-22-7-3-1-4-8-22)21-30-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1-14,25,29H,15-21H2/t25-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol?
(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 402.54 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 991009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).