N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

C16H25F2N3O — CID 142906948

IUPACN-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1ccccc1ON(F)F)C1CCNCC1
InChIInChI=1S/C16H25F2N3O/c1-13(2)11-20(15-7-9-19-10-8-15)12-14-5-3-4-6-16(14)22-21(17)18/h3-6,13,15,19H,7-12H2,1-2H3
InChIKeyITUHJTJFOJYZMK-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.26
Rot. Bonds7

About N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 142906948) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID142906948
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC NameN-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1ccccc1ON(F)F)C1CCNCC1
InChIInChI=1S/C16H25F2N3O/c1-13(2)11-20(15-7-9-19-10-8-15)12-14-5-3-4-6-16(14)22-21(17)18/h3-6,13,15,19H,7-12H2,1-2H3
InChIKeyITUHJTJFOJYZMK-UHFFFAOYSA-N
XLogP3.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 142906948) is N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is CC(C)CN(Cc1ccccc1ON(F)F)C1CCNCC1.
What is the InChIKey of N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is ITUHJTJFOJYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-13(2)11-20(15-7-9-19-10-8-15)12-14-5-3-4-6-16(14)22-21(17)18/h3-6,13,15,19H,7-12H2,1-2H3.
What are the key properties of N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 313.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoroamino)oxyphenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 142906948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).