1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine

C11H17FN2O — CID 175756650

IUPAC1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCOC1C=CC(F)=C(N2CCNCC2)C1
InChIInChI=1S/C11H17FN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,9,13H,4-8H2,1H3
InChIKeyXGMIRNBQAPFTOL-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine

1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 175756650) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine
PubChem CID175756650
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine
SMILESCOC1C=CC(F)=C(N2CCNCC2)C1
InChIInChI=1S/C11H17FN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,9,13H,4-8H2,1H3
InChIKeyXGMIRNBQAPFTOL-UHFFFAOYSA-N
XLogP1.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 71085155
7-[4-(Difluoromethoxy)-3-fluorocyclohexa-1,5-dien-1-yl]-4,7-diazaspiro[2.5]octane
CID 162585578
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
2-[(4-Methoxycyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperazine
CID 68355047
1-(1-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 69797584
(3R)-1-[3-(2-methoxyethoxy)cyclohexa-1,5-dien-1-yl]-3-methylpiperazine
CID 70277981
1-(3-Methoxycyclohexa-1,5-dien-1-yl)piperazine
CID 70289090
1-(2-Ethoxycyclohexa-1,3-dien-1-yl)piperazine
CID 70790710
N-ethyl-N'-methyl-N'-(5-prop-1-en-2-yloxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 129045993
4-(4-Ethylpiperazin-1-yl)-5-methoxycyclohexa-1,3-dien-1-amine
CID 142832296
1-(1-Ethoxycyclohexa-2,4-dien-1-yl)piperazine
CID 177725421

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine (CID 175756650) is 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine is COC1C=CC(F)=C(N2CCNCC2)C1.
What is the InChIKey of 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is XGMIRNBQAPFTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-15-9-2-3-10(12)11(8-9)14-6-4-13-5-7-14/h2-3,9,13H,4-8H2,1H3.
What are the key properties of 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine?
1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 212.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxycyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 175756650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).