4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one

C12H20F2N2O — CID 128702306

IUPAC4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
SMILESCC1CN(CC2CCC(F)(F)CC2)CC(=O)N1
InChIInChI=1S/C12H20F2N2O/c1-9-6-16(8-11(17)15-9)7-10-2-4-12(13,14)5-3-10/h9-10H,2-8H2,1H3,(H,15,17)
InChIKeyBJZISHPECNBBPG-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds2

About 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one

4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one (PubChem CID 128702306) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
PubChem CID128702306
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one
SMILESCC1CN(CC2CCC(F)(F)CC2)CC(=O)N1
InChIInChI=1S/C12H20F2N2O/c1-9-6-16(8-11(17)15-9)7-10-2-4-12(13,14)5-3-10/h9-10H,2-8H2,1H3,(H,15,17)
InChIKeyBJZISHPECNBBPG-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,3-difluorocyclobutyl)methyl]-6-methylpiperazin-2-one
CID 126790707
(6R)-4-ethyl-6-methylpiperazin-2-one
CID 171516065
4-ethyl-6-methylpiperazin-2-one
CID 89081094
6-methyl-4-propylpiperazin-2-one
CID 129133704
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
(6S)-6-methyl-4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]piperazin-2-one
CID 131896201
bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
CID 171515285
4-(3-methyl-5-oxopiperazin-1-yl)butanenitrile
CID 130921073
1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
CID 139389018
1,6-dimethyl-4-(piperidin-4-ylmethyl)piperazin-2-one;hydrochloride
CID 120848820
6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one
CID 91163079
4-(azetidin-3-ylmethyl)piperazine-2,6-dione
CID 130530858

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one?
The IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one (CID 128702306) is 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one?
The canonical SMILES for 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one is CC1CN(CC2CCC(F)(F)CC2)CC(=O)N1.
What is the InChIKey of 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one?
The InChIKey is BJZISHPECNBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-9-6-16(8-11(17)15-9)7-10-2-4-12(13,14)5-3-10/h9-10H,2-8H2,1H3,(H,15,17).
What are the key properties of 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one?
4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one has a molecular weight of 246.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexyl)methyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 128702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).