1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine

C12H15FN2 — CID 143579500

IUPAC1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CC=C=C2F)CC1
InChIInChI=1S/C12H15FN2/c1-14-7-9-15(10-8-14)12-6-4-2-3-5-11(12)13/h2-4,6H,7-10H2,1H3
InChIKeyAJMYUBBQYUEYCD-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.70
Rot. Bonds1

About 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine

1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine (PubChem CID 143579500) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine
PubChem CID143579500
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=CC=CC=C=C2F)CC1
InChIInChI=1S/C12H15FN2/c1-14-7-9-15(10-8-14)12-6-4-2-3-5-11(12)13/h2-4,6H,7-10H2,1H3
InChIKeyAJMYUBBQYUEYCD-UHFFFAOYSA-N
XLogP1.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-(3-Fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
CID 123346502
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine (CID 143579500) is 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine is CN1CCN(C2=CC=CC=C=C2F)CC1.
What is the InChIKey of 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine?
The InChIKey is AJMYUBBQYUEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-14-7-9-15(10-8-14)12-6-4-2-3-5-11(12)13/h2-4,6H,7-10H2,1H3.
What are the key properties of 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine?
1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine has a molecular weight of 206.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-4-methylpiperazine is sourced from PubChem (CID 143579500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).