[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone

C14H18F2N2O2 — CID 2312181

IUPAC[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C14H18F2N2O2/c1-2-17-6-8-18(9-7-17)13(19)11-4-3-5-12(10-11)20-14(15)16/h3-5,10,14H,2,6-9H2,1H3
InChIKeyBVWCPHUCFIJZNK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.07
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone

[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 2312181) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID2312181
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1
InChIInChI=1S/C14H18F2N2O2/c1-2-17-6-8-18(9-7-17)13(19)11-4-3-5-12(10-11)20-14(15)16/h3-5,10,14H,2,6-9H2,1H3
InChIKeyBVWCPHUCFIJZNK-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 2312181) is [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BVWCPHUCFIJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-17-6-8-18(9-7-17)13(19)11-4-3-5-12(10-11)20-14(15)16/h3-5,10,14H,2,6-9H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone?
[3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 284.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 2312181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).