1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine

C11H17FN2 — CID 173103515

IUPAC1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2(F)C=CCC=C2)CC1
InChIInChI=1S/C11H17FN2/c1-13-7-9-14(10-8-13)11(12)5-3-2-4-6-11/h3-6H,2,7-10H2,1H3
InChIKeyAYYPJIAILPBEGX-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.42
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine

1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine (PubChem CID 173103515) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine
PubChem CID173103515
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2(F)C=CCC=C2)CC1
InChIInChI=1S/C11H17FN2/c1-13-7-9-14(10-8-13)11(12)5-3-2-4-6-11/h3-6H,2,7-10H2,1H3
InChIKeyAYYPJIAILPBEGX-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine (CID 173103515) is 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine is CN1CCN(C2(F)C=CCC=C2)CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine?
The InChIKey is AYYPJIAILPBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-7-9-14(10-8-13)11(12)5-3-2-4-6-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine?
1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine has a molecular weight of 196.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 173103515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).