2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C24H28FN3O — CID 23723537

IUPAC2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)cc1
InChIInChI=1S/C24H28FN3O/c1-18-5-7-19(8-6-18)15-28-13-12-27(17-22(28)11-14-29)16-21-10-9-20-3-2-4-23(25)24(20)26-21/h2-10,22,29H,11-17H2,1H3
InChIKeyBTNFPYCRXWXGRT-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723537) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723537
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)cc1
InChIInChI=1S/C24H28FN3O/c1-18-5-7-19(8-6-18)15-28-13-12-27(17-22(28)11-14-29)16-21-10-9-20-3-2-4-23(25)24(20)26-21/h2-10,22,29H,11-17H2,1H3
InChIKeyBTNFPYCRXWXGRT-UHFFFAOYSA-N
XLogP3.75
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723537) is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)cc1.
What is the InChIKey of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is BTNFPYCRXWXGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-18-5-7-19(8-6-18)15-28-13-12-27(17-22(28)11-14-29)16-21-10-9-20-3-2-4-23(25)24(20)26-21/h2-10,22,29H,11-17H2,1H3.
What are the key properties of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 393.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).