1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone

C25H32N2O3 — CID 7775106

About 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 7775106) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone
• PubChem CID: 7775106
• Molecular Formula: C25H32N2O3
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.24
• IUPAC Name: 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone
• SMILES: CC(=O)c1ccc(N2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1
• InChI: InChI=1S/C25H32N2O3/c1-19(28)20-9-11-22(12-10-20)27-15-13-26(14-16-27)17-23(29)18-30-25-8-4-6-21-5-2-3-7-24(21)25/h2-3,5,7,9-12,23,25,29H,4,6,8,13-18H2,1H3/t23-,25-/m1/s1
• InChIKey: OGWTUTVQGZESEI-ILBGXUMGSA-N
• XLogP: 3.47
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone?

The IUPAC name of 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone (CID 7775106) is 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)cc1.

What is the InChIKey of 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone?

The InChIKey is OGWTUTVQGZESEI-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19(28)20-9-11-22(12-10-20)27-15-13-26(14-16-27)17-23(29)18-30-25-8-4-6-21-5-2-3-7-24(21)25/h2-3,5,7,9-12,23,25,29H,4,6,8,13-18H2,1H3/t23-,25-/m1/s1.

What are the key properties of 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone?

1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 408.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 7775106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).