1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine

C11H19FN2 — CID 123503621

IUPAC1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
SMILESC=C(F)C(=CCC)N1CCNC(C)C1
InChIInChI=1S/C11H19FN2/c1-4-5-11(10(3)12)14-7-6-13-9(2)8-14/h5,9,13H,3-4,6-8H2,1-2H3
InChIKeyNDWCMPBANLRFLO-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.06
Rot. Bonds3

About 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine

1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine (PubChem CID 123503621) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
PubChem CID123503621
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
SMILESC=C(F)C(=CCC)N1CCNC(C)C1
InChIInChI=1S/C11H19FN2/c1-4-5-11(10(3)12)14-7-6-13-9(2)8-14/h5,9,13H,3-4,6-8H2,1-2H3
InChIKeyNDWCMPBANLRFLO-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine?
The IUPAC name of 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine (CID 123503621) is 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine.
What is the SMILES notation for 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine?
The canonical SMILES for 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine is C=C(F)C(=CCC)N1CCNC(C)C1.
What is the InChIKey of 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine?
The InChIKey is NDWCMPBANLRFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-4-5-11(10(3)12)14-7-6-13-9(2)8-14/h5,9,13H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine?
1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine has a molecular weight of 198.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorohexa-1,3-dien-3-yl)-3-methylpiperazine is sourced from PubChem (CID 123503621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).