3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine

C15H25FN4 — CID 10684170

IUPAC3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine
SMILESCN(c1nc(F)ccc1NC(C)(C)C)C1CCNCC1
InChIInChI=1S/C15H25FN4/c1-15(2,3)19-12-5-6-13(16)18-14(12)20(4)11-7-9-17-10-8-11/h5-6,11,17,19H,7-10H2,1-4H3
InChIKeyWVZNEEYVKPYSDG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.62
Rot. Bonds3

About 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine

3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine (PubChem CID 10684170) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine
PubChem CID10684170
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine
SMILESCN(c1nc(F)ccc1NC(C)(C)C)C1CCNCC1
InChIInChI=1S/C15H25FN4/c1-15(2,3)19-12-5-6-13(16)18-14(12)20(4)11-7-9-17-10-8-11/h5-6,11,17,19H,7-10H2,1-4H3
InChIKeyWVZNEEYVKPYSDG-UHFFFAOYSA-N
XLogP2.62
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine?
The IUPAC name of 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine (CID 10684170) is 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine is CN(c1nc(F)ccc1NC(C)(C)C)C1CCNCC1.
What is the InChIKey of 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine?
The InChIKey is WVZNEEYVKPYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-15(2,3)19-12-5-6-13(16)18-14(12)20(4)11-7-9-17-10-8-11/h5-6,11,17,19H,7-10H2,1-4H3.
What are the key properties of 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine?
3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-6-fluoro-2-N-methyl-2-N-piperidin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 10684170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).