3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine

C13H19F2N3 — CID 62531948

IUPAC3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
SMILESCN1CCC(N(C)c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C13H19F2N3/c1-17-7-5-9(6-8-17)18(2)13-11(16)4-3-10(14)12(13)15/h3-4,9H,5-8,16H2,1-2H3
InChIKeyZFHCDUDLEVPLRC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.08
Rot. Bonds2

About 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine

3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine (PubChem CID 62531948) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
PubChem CID62531948
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
SMILESCN1CCC(N(C)c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C13H19F2N3/c1-17-7-5-9(6-8-17)18(2)13-11(16)4-3-10(14)12(13)15/h3-4,9H,5-8,16H2,1-2H3
InChIKeyZFHCDUDLEVPLRC-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine (CID 62531948) is 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine is CN1CCC(N(C)c2c(N)ccc(F)c2F)CC1.
What is the InChIKey of 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
The InChIKey is ZFHCDUDLEVPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-17-7-5-9(6-8-17)18(2)13-11(16)4-3-10(14)12(13)15/h3-4,9H,5-8,16H2,1-2H3.
What are the key properties of 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine?
3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine has a molecular weight of 255.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-methyl-2-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 62531948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).