4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine

C13H21FN2 — CID 144662376

IUPAC4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2=CC=C(F)CC2)CC1(C)C
InChIInChI=1S/C13H21FN2/c1-13(2)10-16(9-8-15(13)3)12-6-4-11(14)5-7-12/h4,6H,5,7-10H2,1-3H3
InChIKeyCXWQEZNJTSIYAF-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.54
Rot. Bonds1

About 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine

4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine (PubChem CID 144662376) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
PubChem CID144662376
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2=CC=C(F)CC2)CC1(C)C
InChIInChI=1S/C13H21FN2/c1-13(2)10-16(9-8-15(13)3)12-6-4-11(14)5-7-12/h4,6H,5,7-10H2,1-3H3
InChIKeyCXWQEZNJTSIYAF-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
4-(4-Ethylpiperazin-1-yl)-2,6-difluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 132151117
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine?
The IUPAC name of 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine (CID 144662376) is 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine is CN1CCN(C2=CC=C(F)CC2)CC1(C)C.
What is the InChIKey of 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine?
The InChIKey is CXWQEZNJTSIYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2)10-16(9-8-15(13)3)12-6-4-11(14)5-7-12/h4,6H,5,7-10H2,1-3H3.
What are the key properties of 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine?
4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine has a molecular weight of 224.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 144662376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).