1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine

C12H19FN2 — CID 143483052

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

About 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine

1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (PubChem CID 143483052) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
PubChem CID143483052
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
SMILESCC1=CC=C(F)C(N2CCN(C)CC2)C1
InChIInChI=1S/C12H19FN2/c1-10-3-4-11(13)12(9-10)15-7-5-14(2)6-8-15/h3-4,12H,5-9H2,1-2H3
InChIKeyKDRQQAQAXQGHIG-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

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
(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-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine (CID 143483052) is 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is CC1=CC=C(F)C(N2CCN(C)CC2)C1.
What is the InChIKey of 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
The InChIKey is KDRQQAQAXQGHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10-3-4-11(13)12(9-10)15-7-5-14(2)6-8-15/h3-4,12H,5-9H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine?
1-(2-fluoro-5-methylcyclohexa-2,4-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-(2-fluoro-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine is sourced from PubChem (CID 143483052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).