1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine

C13H19FN2 — CID 150779486

IUPAC1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1CCF
InChIInChI=1S/C13H19FN2/c1-12-11-16(10-9-15(12)8-7-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyKBOMFCIEIXGGEP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine

1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine (PubChem CID 150779486) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine
PubChem CID150779486
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine
SMILESCC1CN(c2ccccc2)CCN1CCF
InChIInChI=1S/C13H19FN2/c1-12-11-16(10-9-15(12)8-7-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyKBOMFCIEIXGGEP-UHFFFAOYSA-N
XLogP2.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine?
The IUPAC name of 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine (CID 150779486) is 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine is CC1CN(c2ccccc2)CCN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine?
The InChIKey is KBOMFCIEIXGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-12-11-16(10-9-15(12)8-7-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine?
1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methyl-4-phenylpiperazine is sourced from PubChem (CID 150779486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).