1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine

C11H17FN2 — CID 154541137

IUPAC1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
SMILESCC1C=C(F)C=CC1N1CCNCC1
InChIInChI=1S/C11H17FN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyIFZZOBQPOWKJRP-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.32
Rot. Bonds1

About 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine

1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 154541137) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
PubChem CID154541137
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
SMILESCC1C=C(F)C=CC1N1CCNCC1
InChIInChI=1S/C11H17FN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8-9,11,13H,4-7H2,1H3
InChIKeyIFZZOBQPOWKJRP-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine (CID 154541137) is 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine is CC1C=C(F)C=CC1N1CCNCC1.
What is the InChIKey of 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is IFZZOBQPOWKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8-9,11,13H,4-7H2,1H3.
What are the key properties of 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine?
1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 196.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 154541137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).