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

C11H17FN2 — CID 141158726

IUPAC1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=C(F)C=CCC2)CC1
InChIInChI=1S/C11H17FN2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2,4H,3,5-9H2,1H3
InChIKeyUUGQKOYMQAUMGD-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.76
Rot. Bonds1

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

1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine (PubChem CID 141158726) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
PubChem CID141158726
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2=C(F)C=CCC2)CC1
InChIInChI=1S/C11H17FN2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2,4H,3,5-9H2,1H3
InChIKeyUUGQKOYMQAUMGD-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.76
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-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
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)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine (CID 141158726) is 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine is CN1CCN(C2=C(F)C=CCC2)CC1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The InChIKey is UUGQKOYMQAUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2,4H,3,5-9H2,1H3.
What are the key properties of 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine has a molecular weight of 196.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 141158726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).