1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine

C13H19FN2 — CID 80696742

IUPAC1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCF
InChIInChI=1S/C13H19FN2/c1-11-9-15-13(10-16(11)8-7-14)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeySDIROGXHNZQGJN-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine

1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine (PubChem CID 80696742) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
PubChem CID80696742
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCF
InChIInChI=1S/C13H19FN2/c1-11-9-15-13(10-16(11)8-7-14)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeySDIROGXHNZQGJN-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
CID 64876301
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
CID 64948447
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
CID 106044003

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine (CID 80696742) is 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine?
The InChIKey is SDIROGXHNZQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-11-9-15-13(10-16(11)8-7-14)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine?
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 80696742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).