(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol

C21H28N2O — CID 100942318

IUPAC(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-18(24)14-21-17-22(15-19-8-4-2-5-9-19)12-13-23(21)16-20-10-6-3-7-11-20/h2-11,18,21,24H,12-17H2,1H3/t18-,21-/m1/s1
InChIKeyJQTWAQYRTKJWJF-WIYYLYMNSA-N
MW324.47 g/mol
LogP3.14
Rot. Bonds6

About (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol

(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol (PubChem CID 100942318) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
PubChem CID100942318
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-18(24)14-21-17-22(15-19-8-4-2-5-9-19)12-13-23(21)16-20-10-6-3-7-11-20/h2-11,18,21,24H,12-17H2,1H3/t18-,21-/m1/s1
InChIKeyJQTWAQYRTKJWJF-WIYYLYMNSA-N
XLogP3.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
(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
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(1,4-dibenzylpiperazin-2-yl)methyl N-pentan-2-ylcarbamate
CID 10476627
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol (CID 100942318) is (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol is C[C@@H](O)C[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol?
The InChIKey is JQTWAQYRTKJWJF-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H28N2O/c1-18(24)14-21-17-22(15-19-8-4-2-5-9-19)12-13-23(21)16-20-10-6-3-7-11-20/h2-11,18,21,24H,12-17H2,1H3/t18-,21-/m1/s1.
What are the key properties of (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol?
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol is sourced from PubChem (CID 100942318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).