6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine

C16H21FN4O — CID 166548818

IUPAC6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine
SMILESCNc1nnc(C)c2cc(F)c(C3(OC)CCNCC3)cc12
InChIInChI=1S/C16H21FN4O/c1-10-11-9-14(17)13(8-12(11)15(18-2)21-20-10)16(22-3)4-6-19-7-5-16/h8-9,19H,4-7H2,1-3H3,(H,18,21)
InChIKeyWQUOVDOVUMSHRC-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.34
Rot. Bonds3

About 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine

6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine (PubChem CID 166548818) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine.

Molecular Properties

Compound Name6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine
PubChem CID166548818
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine
SMILESCNc1nnc(C)c2cc(F)c(C3(OC)CCNCC3)cc12
InChIInChI=1S/C16H21FN4O/c1-10-11-9-14(17)13(8-12(11)15(18-2)21-20-10)16(22-3)4-6-19-7-5-16/h8-9,19H,4-7H2,1-3H3,(H,18,21)
InChIKeyWQUOVDOVUMSHRC-UHFFFAOYSA-N
XLogP2.34
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine?
The IUPAC name of 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine (CID 166548818) is 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine.
What is the SMILES notation for 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine?
The canonical SMILES for 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine is CNc1nnc(C)c2cc(F)c(C3(OC)CCNCC3)cc12.
What is the InChIKey of 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine?
The InChIKey is WQUOVDOVUMSHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-10-11-9-14(17)13(8-12(11)15(18-2)21-20-10)16(22-3)4-6-19-7-5-16/h8-9,19H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine?
6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine has a molecular weight of 304.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methoxypiperidin-4-yl)-N,4-dimethylphthalazin-1-amine is sourced from PubChem (CID 166548818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).