1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine

C13H21FN2 — CID 71154189

IUPAC1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CCCC=C2F)CC1
InChIInChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHPAGPOPIJBKSRY-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.54
Rot. Bonds2

About 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine

1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine (PubChem CID 71154189) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
PubChem CID71154189
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CCCC=C2F)CC1
InChIInChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyHPAGPOPIJBKSRY-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine (CID 71154189) is 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=CCCC=C2F)CC1.
What is the InChIKey of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The InChIKey is HPAGPOPIJBKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-6-4-3-5-12(13)14/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine has a molecular weight of 224.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 71154189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).