2-(2,5-difluoro-4-methoxyphenyl)piperazine

C11H14F2N2O — CID 116856206

IUPAC2-(2,5-difluoro-4-methoxyphenyl)piperazine
SMILESCOc1cc(F)c(C2CNCCN2)cc1F
InChIInChI=1S/C11H14F2N2O/c1-16-11-5-8(12)7(4-9(11)13)10-6-14-2-3-15-10/h4-5,10,14-15H,2-3,6H2,1H3
InChIKeyIASHJDLGARTVBX-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.21
Rot. Bonds2

About 2-(2,5-difluoro-4-methoxyphenyl)piperazine

2-(2,5-difluoro-4-methoxyphenyl)piperazine (PubChem CID 116856206) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)piperazine
PubChem CID116856206
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)piperazine
SMILESCOc1cc(F)c(C2CNCCN2)cc1F
InChIInChI=1S/C11H14F2N2O/c1-16-11-5-8(12)7(4-9(11)13)10-6-14-2-3-15-10/h4-5,10,14-15H,2-3,6H2,1H3
InChIKeyIASHJDLGARTVBX-UHFFFAOYSA-N
XLogP1.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704
2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine
CID 116829294
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
CID 86317470
4,5-dimethoxy-2-[(2R)-piperazin-2-yl]benzoic acid
CID 165348809
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)piperazine
CID 82296694
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)piperazine?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)piperazine (CID 116856206) is 2-(2,5-difluoro-4-methoxyphenyl)piperazine.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)piperazine?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)piperazine is COc1cc(F)c(C2CNCCN2)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)piperazine?
The InChIKey is IASHJDLGARTVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-16-11-5-8(12)7(4-9(11)13)10-6-14-2-3-15-10/h4-5,10,14-15H,2-3,6H2,1H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)piperazine?
2-(2,5-difluoro-4-methoxyphenyl)piperazine has a molecular weight of 228.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)piperazine is sourced from PubChem (CID 116856206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).