5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline

C15H23FN2O — CID 107259136

IUPAC5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
SMILESCCCC1CCN(c2cc(OC)c(N)cc2F)CC1
InChIInChI=1S/C15H23FN2O/c1-3-4-11-5-7-18(8-6-11)14-10-15(19-2)13(17)9-12(14)16/h9-11H,3-8,17H2,1-2H3
InChIKeyVTXANVHAYAHJTG-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.43
Rot. Bonds4

About 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline

5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline (PubChem CID 107259136) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
PubChem CID107259136
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
SMILESCCCC1CCN(c2cc(OC)c(N)cc2F)CC1
InChIInChI=1S/C15H23FN2O/c1-3-4-11-5-7-18(8-6-11)14-10-15(19-2)13(17)9-12(14)16/h9-11H,3-8,17H2,1-2H3
InChIKeyVTXANVHAYAHJTG-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258876
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
5-bromo-2-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 114048234
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline (CID 107259136) is 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline is CCCC1CCN(c2cc(OC)c(N)cc2F)CC1.
What is the InChIKey of 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline?
The InChIKey is VTXANVHAYAHJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-4-11-5-7-18(8-6-11)14-10-15(19-2)13(17)9-12(14)16/h9-11H,3-8,17H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline?
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline has a molecular weight of 266.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline is sourced from PubChem (CID 107259136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).