2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol

C21H28N2O — CID 29150590

IUPAC2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/t21-/m0/s1
InChIKeyGEJBXWPZUGXVHT-NRFANRHFSA-N
MW324.47 g/mol
LogP2.80
Rot. Bonds7

About 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol

2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 29150590) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID29150590
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/t21-/m0/s1
InChIKeyGEJBXWPZUGXVHT-NRFANRHFSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol (CID 29150590) is 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is GEJBXWPZUGXVHT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O/c24-16-12-21-18-22(13-11-19-7-3-1-4-8-19)14-15-23(21)17-20-9-5-2-6-10-20/h1-10,21,24H,11-18H2/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 324.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29150590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).