2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol

C26H30N2O — CID 58860688

IUPAC2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
SMILESOC(C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)18-25-21-27(19-22-10-4-1-5-11-22)16-17-28(25)20-23-12-6-2-7-13-23/h1-15,25-26,29H,16-21H2/t25-,26?/m0/s1
InChIKeyIAPJBCARKLEMQX-PMCHYTPCSA-N
MW386.54 g/mol
LogP4.50
Rot. Bonds7

About 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol

2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol (PubChem CID 58860688) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
PubChem CID58860688
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
SMILESOC(C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)18-25-21-27(19-22-10-4-1-5-11-22)16-17-28(25)20-23-12-6-2-7-13-23/h1-15,25-26,29H,16-21H2/t25-,26?/m0/s1
InChIKeyIAPJBCARKLEMQX-PMCHYTPCSA-N
XLogP4.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
CID 57436101
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol (CID 58860688) is 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol is OC(C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol?
The InChIKey is IAPJBCARKLEMQX-PMCHYTPCSA-N. The full InChI is InChI=1S/C26H30N2O/c29-26(24-14-8-3-9-15-24)18-25-21-27(19-22-10-4-1-5-11-22)16-17-28(25)20-23-12-6-2-7-13-23/h1-15,25-26,29H,16-21H2/t25-,26?/m0/s1.
What are the key properties of 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol?
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol has a molecular weight of 386.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol is sourced from PubChem (CID 58860688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).