1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine

C13H19F2N3 — CID 83003142

IUPAC1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine
SMILESCC1CCCC(C)N1Nc1c(F)cc(N)cc1F
InChIInChI=1S/C13H19F2N3/c1-8-4-3-5-9(2)18(8)17-13-11(14)6-10(16)7-12(13)15/h6-9,17H,3-5,16H2,1-2H3
InChIKeyGHZRKBFJIONIFV-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.14
Rot. Bonds2

About 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine

1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine (PubChem CID 83003142) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine
PubChem CID83003142
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine
SMILESCC1CCCC(C)N1Nc1c(F)cc(N)cc1F
InChIInChI=1S/C13H19F2N3/c1-8-4-3-5-9(2)18(8)17-13-11(14)6-10(16)7-12(13)15/h6-9,17H,3-5,16H2,1-2H3
InChIKeyGHZRKBFJIONIFV-UHFFFAOYSA-N
XLogP3.14
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
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 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine (CID 83003142) is 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine is CC1CCCC(C)N1Nc1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine?
The InChIKey is GHZRKBFJIONIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-8-4-3-5-9(2)18(8)17-13-11(14)6-10(16)7-12(13)15/h6-9,17H,3-5,16H2,1-2H3.
What are the key properties of 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine?
1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine has a molecular weight of 255.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylpiperidin-1-yl)-2,6-difluorobenzene-1,4-diamine is sourced from PubChem (CID 83003142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).