(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone

C13H16F2N2O — CID 63872512

IUPAC(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2F)CC(C)N1
InChIInChI=1S/C13H16F2N2O/c1-8-6-17(7-9(2)16-8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyPSTFZCNAVABNJH-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.79
Rot. Bonds1

About (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone

(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 63872512) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID63872512
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2F)CC(C)N1
InChIInChI=1S/C13H16F2N2O/c1-8-6-17(7-9(2)16-8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyPSTFZCNAVABNJH-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2-chloro-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564485
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
(2-bromo-6-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564706
1-(2,3-difluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118890
(2,3-difluorophenyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611669
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564206
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
[1-(2,6-difluorophenyl)pyrazol-3-yl]-[(3S,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590113
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone (CID 63872512) is (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(F)c2F)CC(C)N1.
What is the InChIKey of (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is PSTFZCNAVABNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-6-17(7-9(2)16-8)13(18)10-4-3-5-11(14)12(10)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone?
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 254.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63872512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).