1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine

C12H16ClFN2 — CID 677773

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H16ClFN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3
InChIKeyKJLGHEZXEDRBAJ-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.23
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine

1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine (PubChem CID 677773) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine
PubChem CID677773
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H16ClFN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3
InChIKeyKJLGHEZXEDRBAJ-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine (CID 677773) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine?
The InChIKey is KJLGHEZXEDRBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14/h2-4H,5-9H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine has a molecular weight of 242.72 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 677773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).