1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine

C14H22FN3O — CID 107259506

IUPAC1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NN2C(C)CCCC2C)c(F)cc1N
InChIInChI=1S/C14H22FN3O/c1-9-5-4-6-10(2)18(9)17-13-8-14(19-3)12(16)7-11(13)15/h7-10,17H,4-6,16H2,1-3H3
InChIKeyIZWWSWRBQTWZIX-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.01
Rot. Bonds3

About 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107259506) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107259506
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(NN2C(C)CCCC2C)c(F)cc1N
InChIInChI=1S/C14H22FN3O/c1-9-5-4-6-10(2)18(9)17-13-8-14(19-3)12(16)7-11(13)15/h7-10,17H,4-6,16H2,1-3H3
InChIKeyIZWWSWRBQTWZIX-UHFFFAOYSA-N
XLogP3.01
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107259506) is 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(NN2C(C)CCCC2C)c(F)cc1N.
What is the InChIKey of 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is IZWWSWRBQTWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-9-5-4-6-10(2)18(9)17-13-8-14(19-3)12(16)7-11(13)15/h7-10,17H,4-6,16H2,1-3H3.
What are the key properties of 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 267.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107259506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).