1-[(4-ethyl-3-fluorophenyl)methyl]piperazine

C13H19FN2 — CID 122519320

IUPAC1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCNCC2)cc1F
InChIInChI=1S/C13H19FN2/c1-2-12-4-3-11(9-13(12)14)10-16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyKHPFYKWMSVGBQC-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.79
Rot. Bonds3

About 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine

1-[(4-ethyl-3-fluorophenyl)methyl]piperazine (PubChem CID 122519320) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
PubChem CID122519320
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
SMILESCCc1ccc(CN2CCNCC2)cc1F
InChIInChI=1S/C13H19FN2/c1-2-12-4-3-11(9-13(12)14)10-16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyKHPFYKWMSVGBQC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
1-[[4-[2-(4-chlorophenoxy)ethyl]-3-fluorophenyl]methyl]piperazine;dihydrochloride
CID 67327803
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]piperazine
CID 117395460
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
CID 70269014
1-[[4-(2,2-dimethylpropyl)-3-fluorophenyl]methyl]piperidine
CID 169075487
1-[[2-fluoro-4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328025
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine (CID 122519320) is 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine is CCc1ccc(CN2CCNCC2)cc1F.
What is the InChIKey of 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine?
The InChIKey is KHPFYKWMSVGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-12-4-3-11(9-13(12)14)10-16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine?
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 122519320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).