1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine

C12H19FN2 — CID 163511248

IUPAC1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCC1=CC=C(N2CCN(C)CC2)C(F)C1
InChIInChI=1S/C12H19FN2/c1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3
InChIKeyDCWNXOHYZUMUFV-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.81
Rot. Bonds1

About 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine

1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine (PubChem CID 163511248) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
PubChem CID163511248
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
SMILESCC1=CC=C(N2CCN(C)CC2)C(F)C1
InChIInChI=1S/C12H19FN2/c1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3
InChIKeyDCWNXOHYZUMUFV-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-sulfanylpiperazine
CID 123854731
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-(1-Tert-butylazetidin-3-yl)-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142022935
1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099573

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine (CID 163511248) is 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine is CC1=CC=C(N2CCN(C)CC2)C(F)C1.
What is the InChIKey of 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
The InChIKey is DCWNXOHYZUMUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10-3-4-12(11(13)9-10)15-7-5-14(2)6-8-15/h3-4,11H,5-9H2,1-2H3.
What are the key properties of 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine?
1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine has a molecular weight of 210.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 163511248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).