1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone

C14H17F3N2O2 — CID 873682

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-12-6-4-3-5-11(12)18-7-9-19(10-8-18)13(20)14(15,16)17/h3-6H,2,7-10H2,1H3
InChIKeyBYZCRVDIHJSHCJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.30
Rot. Bonds3

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 873682) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID873682
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCCOc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H17F3N2O2/c1-2-21-12-6-4-3-5-11(12)18-7-9-19(10-8-18)13(20)14(15,16)17/h3-6H,2,7-10H2,1H3
InChIKeyBYZCRVDIHJSHCJ-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone (CID 873682) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone is CCOc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is BYZCRVDIHJSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-21-12-6-4-3-5-11(12)18-7-9-19(10-8-18)13(20)14(15,16)17/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 302.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 873682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).