ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone

C14H21FN2O — CID 142506906

IUPACethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCNC(c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O.C2H6/c1-9(16)15-7-6-14-12(8-15)10-4-2-3-5-11(10)13;1-2/h2-5,12,14H,6-8H2,1H3;1-2H3
InChIKeyZTDWUHCTUCQWAK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.34
Rot. Bonds1

About ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone

ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 142506906) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID142506906
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Nameethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCNC(c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O.C2H6/c1-9(16)15-7-6-14-12(8-15)10-4-2-3-5-11(10)13;1-2/h2-5,12,14H,6-8H2,1H3;1-2H3
InChIKeyZTDWUHCTUCQWAK-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 142506906) is ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone is CC.CC(=O)N1CCNC(c2ccccc2F)C1.
What is the InChIKey of ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ZTDWUHCTUCQWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.C2H6/c1-9(16)15-7-6-14-12(8-15)10-4-2-3-5-11(10)13;1-2/h2-5,12,14H,6-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone?
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 252.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 142506906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).