5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

C16H24FN3O — CID 107259226

IUPAC5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCCC3)C2)c(F)cc1N
InChIInChI=1S/C16H24FN3O/c1-21-16-10-15(13(17)9-14(16)18)20-8-5-12(11-20)19-6-3-2-4-7-19/h9-10,12H,2-8,11,18H2,1H3
InChIKeyPHWPMOJXQJXJDF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 107259226) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID107259226
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCCC3)C2)c(F)cc1N
InChIInChI=1S/C16H24FN3O/c1-21-16-10-15(13(17)9-14(16)18)20-8-5-12(11-20)19-6-3-2-4-7-19/h9-10,12H,2-8,11,18H2,1H3
InChIKeyPHWPMOJXQJXJDF-UHFFFAOYSA-N
XLogP2.48
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452610
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
4-(3,4-dimethylpiperazin-1-yl)-5-fluoro-2-methoxyaniline
CID 107259252
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66099728
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (CID 107259226) is 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is COc1cc(N2CCC(N3CCCCC3)C2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is PHWPMOJXQJXJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-21-16-10-15(13(17)9-14(16)18)20-8-5-12(11-20)19-6-3-2-4-7-19/h9-10,12H,2-8,11,18H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 293.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 107259226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).