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

C22H31N3O2 — CID 98770637

IUPAC2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(N3CCN(C4CCCCC4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-27-20-9-5-6-17-10-11-21(23-22(17)20)24-13-14-25(19(16-24)12-15-26)18-7-3-2-4-8-18/h5-6,9-11,18-19,26H,2-4,7-8,12-16H2,1H3/t19-/m0/s1
InChIKeyCXRMKUVCKRZYTP-IBGZPJMESA-N
MW369.51 g/mol
LogP3.45
Rot. Bonds5

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

2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol (PubChem CID 98770637) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol
PubChem CID98770637
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol
SMILESCOc1cccc2ccc(N3CCN(C4CCCCC4)[C@@H](CCO)C3)nc12
InChIInChI=1S/C22H31N3O2/c1-27-20-9-5-6-17-10-11-21(23-22(17)20)24-13-14-25(19(16-24)12-15-26)18-7-3-2-4-8-18/h5-6,9-11,18-19,26H,2-4,7-8,12-16H2,1H3/t19-/m0/s1
InChIKeyCXRMKUVCKRZYTP-IBGZPJMESA-N
XLogP3.45
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol (CID 98770637) is 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol is COc1cccc2ccc(N3CCN(C4CCCCC4)[C@@H](CCO)C3)nc12.
What is the InChIKey of 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol?
The InChIKey is CXRMKUVCKRZYTP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O2/c1-27-20-9-5-6-17-10-11-21(23-22(17)20)24-13-14-25(19(16-24)12-15-26)18-7-3-2-4-8-18/h5-6,9-11,18-19,26H,2-4,7-8,12-16H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol?
2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol has a molecular weight of 369.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexyl-4-(8-methoxyquinolin-2-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98770637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).