1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone

C18H24F3N3O — CID 23723911

IUPAC1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H24F3N3O/c1-14(25)24-7-3-6-17(13-24)23-10-8-22(9-11-23)16-5-2-4-15(12-16)18(19,20)21/h2,4-5,12,17H,3,6-11,13H2,1H3
InChIKeyJOXZZINFVHGYDU-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.84
Rot. Bonds2

About 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone

1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 23723911) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID23723911
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H24F3N3O/c1-14(25)24-7-3-6-17(13-24)23-10-8-22(9-11-23)16-5-2-4-15(12-16)18(19,20)21/h2,4-5,12,17H,3,6-11,13H2,1H3
InChIKeyJOXZZINFVHGYDU-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone (CID 23723911) is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JOXZZINFVHGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-14(25)24-7-3-6-17(13-24)23-10-8-22(9-11-23)16-5-2-4-15(12-16)18(19,20)21/h2,4-5,12,17H,3,6-11,13H2,1H3.
What are the key properties of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone?
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 355.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 23723911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).