2-ethyl-1-[(3-fluorophenyl)methyl]piperazine

C13H19FN2 — CID 63602697

IUPAC2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
SMILESCCC1CNCCN1Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-2-13-9-15-6-7-16(13)10-11-4-3-5-12(14)8-11/h3-5,8,13,15H,2,6-7,9-10H2,1H3
InChIKeyJIQMBVVTUJVCSK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds3

About 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine

2-ethyl-1-[(3-fluorophenyl)methyl]piperazine (PubChem CID 63602697) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
PubChem CID63602697
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
SMILESCCC1CNCCN1Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2/c1-2-13-9-15-6-7-16(13)10-11-4-3-5-12(14)8-11/h3-5,8,13,15H,2,6-7,9-10H2,1H3
InChIKeyJIQMBVVTUJVCSK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine (CID 63602697) is 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine is CCC1CNCCN1Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is JIQMBVVTUJVCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-13-9-15-6-7-16(13)10-11-4-3-5-12(14)8-11/h3-5,8,13,15H,2,6-7,9-10H2,1H3.
What are the key properties of 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine?
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 63602697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).