2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine

C13H19F2N3 — CID 63733911

IUPAC2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
SMILESCN1CCC(Nc2ccc(N)cc2C(F)F)CC1
InChIInChI=1S/C13H19F2N3/c1-18-6-4-10(5-7-18)17-12-3-2-9(16)8-11(12)13(14)15/h2-3,8,10,13,17H,4-7,16H2,1H3
InChIKeyOFZWJYVIDYDWBJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.71
Rot. Bonds3

About 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine (PubChem CID 63733911) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
PubChem CID63733911
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
SMILESCN1CCC(Nc2ccc(N)cc2C(F)F)CC1
InChIInChI=1S/C13H19F2N3/c1-18-6-4-10(5-7-18)17-12-3-2-9(16)8-11(12)13(14)15/h2-3,8,10,13,17H,4-7,16H2,1H3
InChIKeyOFZWJYVIDYDWBJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.71
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 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine (CID 63733911) is 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine is CN1CCC(Nc2ccc(N)cc2C(F)F)CC1.
What is the InChIKey of 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine?
The InChIKey is OFZWJYVIDYDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-18-6-4-10(5-7-18)17-12-3-2-9(16)8-11(12)13(14)15/h2-3,8,10,13,17H,4-7,16H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine has a molecular weight of 255.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 63733911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).