1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine

C13H18F2N2 — CID 117353486

IUPAC1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c(CCN2CCNCC2)c1F
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(14)11(13(10)15)4-7-17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3
InChIKeyDSYYSICJEUUINE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine

1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine (PubChem CID 117353486) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
PubChem CID117353486
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
SMILESCc1ccc(F)c(CCN2CCNCC2)c1F
InChIInChI=1S/C13H18F2N2/c1-10-2-3-12(14)11(13(10)15)4-7-17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3
InChIKeyDSYYSICJEUUINE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
3,4,6-trifluoro-2-(2-piperazin-1-ylethyl)phenol
CID 117404481
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
2,3,5-trimethyl-4-(2-piperazin-1-ylethyl)phenol
CID 82266205
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine (CID 117353486) is 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine is Cc1ccc(F)c(CCN2CCNCC2)c1F.
What is the InChIKey of 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine?
The InChIKey is DSYYSICJEUUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-10-2-3-12(14)11(13(10)15)4-7-17-8-5-16-6-9-17/h2-3,16H,4-9H2,1H3.
What are the key properties of 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine?
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine has a molecular weight of 240.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 117353486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).