(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone

C12H14F2N2O — CID 82814419

IUPAC(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2)c1F
InChIInChI=1S/C12H14F2N2O/c1-8-2-3-9(13)10(11(8)14)12(17)16-6-4-15-5-7-16/h2-3,15H,4-7H2,1H3
InChIKeyMVJDIDVUXRWWBK-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.32
Rot. Bonds1

About (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone

(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone (PubChem CID 82814419) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
PubChem CID82814419
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1ccc(F)c(C(=O)N2CCNCC2)c1F
InChIInChI=1S/C12H14F2N2O/c1-8-2-3-9(13)10(11(8)14)12(17)16-6-4-15-5-7-16/h2-3,15H,4-7H2,1H3
InChIKeyMVJDIDVUXRWWBK-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
[4-(2-chloroethyl)piperazin-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815621
(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
(2,6-difluoro-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 82816459
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
1-(2,6-difluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 82815172
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56875020

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone (CID 82814419) is (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone is Cc1ccc(F)c(C(=O)N2CCNCC2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone?
The InChIKey is MVJDIDVUXRWWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8-2-3-9(13)10(11(8)14)12(17)16-6-4-15-5-7-16/h2-3,15H,4-7H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone?
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone has a molecular weight of 240.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82814419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).