2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine

C12H18FN3O — CID 107259505

IUPAC2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine
SMILESCOc1cc(NN2CCCCC2)c(F)cc1N
InChIInChI=1S/C12H18FN3O/c1-17-12-8-11(9(13)7-10(12)14)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3
InChIKeyJKJKUEOKXSQKFJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.23
Rot. Bonds3

About 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine

2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine (PubChem CID 107259505) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine
PubChem CID107259505
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine
SMILESCOc1cc(NN2CCCCC2)c(F)cc1N
InChIInChI=1S/C12H18FN3O/c1-17-12-8-11(9(13)7-10(12)14)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3
InChIKeyJKJKUEOKXSQKFJ-UHFFFAOYSA-N
XLogP2.23
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83005355
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259506
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
2-fluoro-5-methoxy-1-N-(1-methylpiperidin-3-yl)benzene-1,4-diamine
CID 107258883
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258944
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
1-N-(2,3-dimethylcyclopentyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259328
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine (CID 107259505) is 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine is COc1cc(NN2CCCCC2)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine?
The InChIKey is JKJKUEOKXSQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-17-12-8-11(9(13)7-10(12)14)15-16-5-3-2-4-6-16/h7-8,15H,2-6,14H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine has a molecular weight of 239.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-piperidin-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 107259505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).