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

C22H31N3O2 — CID 28733081

IUPAC2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(C4CCCC4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-27-21-8-4-5-17-9-10-18(23-22(17)21)15-24-12-13-25(19-6-2-3-7-19)20(16-24)11-14-26/h4-5,8-10,19-20,26H,2-3,6-7,11-16H2,1H3/t20-/m0/s1
InChIKeyIMYRBJQKZOPMCP-FQEVSTJZSA-N
MW369.51 g/mol
LogP3.05
Rot. Bonds6

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

2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 28733081) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID28733081
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(CN3CCN(C4CCCC4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-27-21-8-4-5-17-9-10-18(23-22(17)21)15-24-12-13-25(19-6-2-3-7-19)20(16-24)11-14-26/h4-5,8-10,19-20,26H,2-3,6-7,11-16H2,1H3/t20-/m0/s1
InChIKeyIMYRBJQKZOPMCP-FQEVSTJZSA-N
XLogP3.05
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45190210
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol
CID 98770637
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 45206179
2-[(2S)-1-cyclopentyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 30854343
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51908762
2-[(2R)-1-cyclopentyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51909267
2-[1-cyclopentyl-4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 45180147
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 28733081) is 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is COc1cccc2ccc(CN3CCN(C4CCCC4)[C@@H](CCO)C3)nc12.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is IMYRBJQKZOPMCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-21-8-4-5-17-9-10-18(23-22(17)21)15-24-12-13-25(19-6-2-3-7-19)20(16-24)11-14-26/h4-5,8-10,19-20,26H,2-3,6-7,11-16H2,1H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 369.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 28733081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).