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

C24H35FN4O — CID 45206867

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

2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45206867) has the molecular formula C24H35FN4O and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
• PubChem CID: 45206867
• Molecular Formula: C24H35FN4O
• Molecular Weight: 414.57 g/mol
• Exact Mass: 414.28
• IUPAC Name: 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
• SMILES: CC(C)N1CCC(N2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)CC1
• InChI: InChI=1S/C24H35FN4O/c1-18(2)28-11-8-21(9-12-28)29-14-13-27(17-22(29)10-15-30)16-20-7-6-19-4-3-5-23(25)24(19)26-20/h3-7,18,21-22,30H,8-17H2,1-2H3
• InChIKey: OGZVPHRWMQVGBU-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 42.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.57
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45206867) is 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The canonical SMILES for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3ccc4cccc(F)c4n3)CC2CCO)CC1.

What is the InChIKey of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

The InChIKey is OGZVPHRWMQVGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O/c1-18(2)28-11-8-21(9-12-28)29-14-13-27(17-22(29)10-15-30)16-20-7-6-19-4-3-5-23(25)24(19)26-20/h3-7,18,21-22,30H,8-17H2,1-2H3.

What are the key properties of 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?

2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 414.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45206867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).