1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine

C14H21FN2 — CID 84798248

IUPAC1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c(F)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-11-9-12(2)14(15)13(10-11)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyKEJSEBZHJWRSKP-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine

1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine (PubChem CID 84798248) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
PubChem CID84798248
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c(F)c(CCN2CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-11-9-12(2)14(15)13(10-11)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeyKEJSEBZHJWRSKP-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine (CID 84798248) is 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine is Cc1cc(C)c(F)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine?
The InChIKey is KEJSEBZHJWRSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-9-12(2)14(15)13(10-11)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine?
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 84798248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).