2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C25H31N3O2 — CID 51635293

IUPAC2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C25H31N3O2/c1-30-24-9-5-8-21-10-11-22(26-25(21)24)18-27-15-16-28(23(19-27)13-17-29)14-12-20-6-3-2-4-7-20/h2-11,23,29H,12-19H2,1H3/t23-/m0/s1
InChIKeyWUINPJBDPAYTCV-QHCPKHFHSA-N
MW405.54 g/mol
LogP3.35
Rot. Bonds8

About 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 51635293) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID51635293
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C25H31N3O2/c1-30-24-9-5-8-21-10-11-22(26-25(21)24)18-27-15-16-28(23(19-27)13-17-29)14-12-20-6-3-2-4-7-20/h2-11,23,29H,12-19H2,1H3/t23-/m0/s1
InChIKeyWUINPJBDPAYTCV-QHCPKHFHSA-N
XLogP3.35
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45206179
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29185332
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45217591
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 51635293) is 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is COc1cccc2ccc(CN3CCN(CCc4ccccc4)[C@@H](CCO)C3)nc12.
What is the InChIKey of 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is WUINPJBDPAYTCV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-30-24-9-5-8-21-10-11-22(26-25(21)24)18-27-15-16-28(23(19-27)13-17-29)14-12-20-6-3-2-4-7-20/h2-11,23,29H,12-19H2,1H3/t23-/m0/s1.
What are the key properties of 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 405.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51635293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).