1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine

C17H22F2N2 — CID 71019352

IUPAC1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
SMILESFC1=CCC(C(C2=CC=C(F)CC2)N2CCNCC2)C=C1
InChIInChI=1S/C17H22F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1,3,5-7,13,17,20H,2,4,8-12H2
InChIKeyJZBSXTAXQPKKKH-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.26
Rot. Bonds3

About 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine

1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine (PubChem CID 71019352) has the molecular formula C17H22F2N2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
PubChem CID71019352
Molecular FormulaC17H22F2N2
Molecular Weight292.37 g/mol
Exact Mass292.18
IUPAC Name1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
SMILESFC1=CCC(C(C2=CC=C(F)CC2)N2CCNCC2)C=C1
InChIInChI=1S/C17H22F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1,3,5-7,13,17,20H,2,4,8-12H2
InChIKeyJZBSXTAXQPKKKH-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine with MolForge

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
trans-Octahydrobenzo(f)quinoline
CID 129670051
1-(3,3-Difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine;hydrochloride
CID 18667957
1-(3,3-Difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,14-tetraenyl)piperazine
CID 18667958
(2R)-1-[4-(4-chloro-5-fluorocyclohexen-1-yl)piperidin-1-yl]-N-[2-(4-fluorocyclohexa-1,5-dien-1-yl)ethyl]-3-methylbutan-2-amine
CID 58457552
(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]-3-methyl-N-[2-[3-(trifluoromethyl)cyclohexen-1-yl]ethyl]butan-2-amine
CID 58457739
(2R)-1-[4-(4-chlorocyclohex-3-en-1-yl)piperidin-1-yl]-N-[(5-cyclohex-2-en-1-yl-4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-methylbutan-2-amine
CID 58457890
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
1-[(1S,11S)-2,2-difluoro-11-tetracyclo[10.4.0.01,3.05,10]hexadeca-3,5(10),8,12,14-pentaenyl]piperazine;hydrochloride
CID 70002673
6-[cyclohexa-1,3-dien-1-yl-[(1S)-cyclohex-3-en-1-yl]methyl]-3-(trifluoromethyl)-1,5,7,7a-tetrahydropyrrolo[3,4-b]pyridine
CID 70262330
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine (CID 71019352) is 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine is FC1=CCC(C(C2=CC=C(F)CC2)N2CCNCC2)C=C1.
What is the InChIKey of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine?
The InChIKey is JZBSXTAXQPKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1,3,5-7,13,17,20H,2,4,8-12H2.
What are the key properties of 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine?
1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine has a molecular weight of 292.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 71019352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).