2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol

C24H32N2O2 — CID 29185332

IUPAC2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESC=CCOc1ccccc1CN1CCN(CCc2ccccc2)[C@H](CCO)C1
InChIInChI=1S/C24H32N2O2/c1-2-18-28-24-11-7-6-10-22(24)19-25-15-16-26(23(20-25)13-17-27)14-12-21-8-4-3-5-9-21/h2-11,23,27H,1,12-20H2/t23-/m1/s1
InChIKeyHSJMYZPDTFLVHG-HSZRJFAPSA-N
MW380.53 g/mol
LogP3.36
Rot. Bonds10

About 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 29185332) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID29185332
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESC=CCOc1ccccc1CN1CCN(CCc2ccccc2)[C@H](CCO)C1
InChIInChI=1S/C24H32N2O2/c1-2-18-28-24-11-7-6-10-22(24)19-25-15-16-26(23(20-25)13-17-27)14-12-21-8-4-3-5-9-21/h2-11,23,27H,1,12-20H2/t23-/m1/s1
InChIKeyHSJMYZPDTFLVHG-HSZRJFAPSA-N
XLogP3.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586705
2-[1-(1-methylpiperidin-4-yl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45180019
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
3-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]chromen-4-one
CID 45196251
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
2-[4-[(2-chlorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45228561
2-[(2R)-1-(2-phenylethyl)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
CID 92764853

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 29185332) is 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol is C=CCOc1ccccc1CN1CCN(CCc2ccccc2)[C@H](CCO)C1.
What is the InChIKey of 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is HSJMYZPDTFLVHG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-18-28-24-11-7-6-10-22(24)19-25-15-16-26(23(20-25)13-17-27)14-12-21-8-4-3-5-9-21/h2-11,23,27H,1,12-20H2/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 380.53 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).