1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine

C11H13Cl2FN2 — CID 83081604

IUPAC1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine
SMILESCC1CN(c2c(Cl)cc(F)cc2Cl)CCN1
InChIInChI=1S/C11H13Cl2FN2/c1-7-6-16(3-2-15-7)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,2-3,6H2,1H3
InChIKeyPOOLCTIEMZDJOV-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.93
Rot. Bonds1

About 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine

1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine (PubChem CID 83081604) has the molecular formula C11H13Cl2FN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine
PubChem CID83081604
Molecular FormulaC11H13Cl2FN2
Molecular Weight263.14 g/mol
Exact Mass262.04
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine
SMILESCC1CN(c2c(Cl)cc(F)cc2Cl)CCN1
InChIInChI=1S/C11H13Cl2FN2/c1-7-6-16(3-2-15-7)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,2-3,6H2,1H3
InChIKeyPOOLCTIEMZDJOV-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-(2,6-dichloro-4-fluorophenyl)-1,4-diazepane
CID 83081602
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine
CID 79047451
1-(2,6-dichloro-4-fluorophenyl)-3-propyl-1,4-diazepane
CID 83081285
3-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)-1,4-diazepane
CID 83081680
1-(2,6-dichloro-4-fluorophenyl)-3,3-dimethylpiperazine
CID 83081367
3,5-difluoro-4-[(3R)-3-methylpiperazin-1-yl]benzonitrile
CID 104976145
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526
(3R)-1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 94544786
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
1-(2,3-dichlorophenyl)-3-methylpiperazine
CID 62670055
1-(2-bromo-6-chloro-4-fluorophenyl)-3-tert-butyl-1,4-diazepane
CID 107617304
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine (CID 83081604) is 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine is CC1CN(c2c(Cl)cc(F)cc2Cl)CCN1.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine?
The InChIKey is POOLCTIEMZDJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2/c1-7-6-16(3-2-15-7)11-9(12)4-8(14)5-10(11)13/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine?
1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine has a molecular weight of 263.14 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)-3-methylpiperazine is sourced from PubChem (CID 83081604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).