2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

C19H20F3N3O2 — CID 53322527

IUPAC2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-7-4-8-23-18(16)25-11-9-24(10-12-25)17(26)14-27-13-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGUOCKTYMCJDPRB-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.97
Rot. Bonds5

About 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone

2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 53322527) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID53322527
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-7-4-8-23-18(16)25-11-9-24(10-12-25)17(26)14-27-13-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGUOCKTYMCJDPRB-UHFFFAOYSA-N
XLogP2.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 53322527) is 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is O=C(COCc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is GUOCKTYMCJDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)16-7-4-8-23-18(16)25-11-9-24(10-12-25)17(26)14-27-13-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone?
2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 379.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53322527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).