1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one

C12H14F2N2O — CID 114933249

IUPAC1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-8-12(17)16(6-5-15-8)7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyHOWVYDSIPHBMJY-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.29
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one

1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 114933249) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
PubChem CID114933249
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C12H14F2N2O/c1-8-12(17)16(6-5-15-8)7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyHOWVYDSIPHBMJY-UHFFFAOYSA-N
XLogP1.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63606616
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-[(3,4-difluorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 82929772
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
CID 63608349
1-[(2,6-difluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 85448287
4-fluoro-2-[(3-methyl-2-oxopiperazin-1-yl)methyl]benzonitrile
CID 107907297
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 55169367
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-ethylpiperazin-2-one
CID 106270822
1-[(4-ethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258827
3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
CID 55215575

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one (CID 114933249) is 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one is CC1NCCN(Cc2c(F)cccc2F)C1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is HOWVYDSIPHBMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8-12(17)16(6-5-15-8)7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one?
1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 114933249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).