3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

C18H23F4N3O — CID 25288759

About 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 25288759) has the molecular formula C18H23F4N3O and a molecular weight of 373.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 25288759
• Molecular Formula: C18H23F4N3O
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.18
• IUPAC Name: 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
• SMILES: O=C(CC(F)(F)F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1
• InChI: InChI=1S/C18H23F4N3O/c19-14-3-5-15(6-4-14)23-8-10-24(11-9-23)16-2-1-7-25(13-16)17(26)12-18(20,21)22/h3-6,16H,1-2,7-13H2/t16-/m1/s1
• InChIKey: UJGGPRWJKZAAFB-MRXNPFEDSA-N
• XLogP: 2.89
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 25288759) is 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1.

What is the InChIKey of 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?

The InChIKey is UJGGPRWJKZAAFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23F4N3O/c19-14-3-5-15(6-4-14)23-8-10-24(11-9-23)16-2-1-7-25(13-16)17(26)12-18(20,21)22/h3-6,16H,1-2,7-13H2/t16-/m1/s1.

What are the key properties of 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?

3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 373.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 25288759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).