1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine

C12H17FN2 — CID 142226978

IUPAC1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CC=C(F)C2)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(13)10-12/h2-5H,6-10H2,1H3
InChIKeyWESGYQXYNVAGDW-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds1

About 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine

1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine (PubChem CID 142226978) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
PubChem CID142226978
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CC=C(F)C2)CC1
InChIInChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(13)10-12/h2-5H,6-10H2,1H3
InChIKeyWESGYQXYNVAGDW-UHFFFAOYSA-N
XLogP1.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine (CID 142226978) is 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine is CN1CCN(C2=CC=CC=C(F)C2)CC1.
What is the InChIKey of 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine?
The InChIKey is WESGYQXYNVAGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(13)10-12/h2-5H,6-10H2,1H3.
What are the key properties of 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine?
1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 142226978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).