(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C19H20F2N2O2 — CID 2747477

IUPAC(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-7-4-8-17(21)18(16)19(24)23-11-9-22(10-12-23)13-14-25-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGBHDHHSLURDGHH-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.80
Rot. Bonds5

About (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 2747477) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID2747477
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-7-4-8-17(21)18(16)19(24)23-11-9-22(10-12-23)13-14-25-15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGBHDHHSLURDGHH-UHFFFAOYSA-N
XLogP2.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 2747477) is (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is GBHDHHSLURDGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-7-4-8-17(21)18(16)19(24)23-11-9-22(10-12-23)13-14-25-15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2747477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).