2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline

C15H21FN2O — CID 89112753

IUPAC2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
SMILESCc1cc(N)c(F)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C15H21FN2O/c1-10-6-15(17)14(16)7-13(10)11-2-4-18(5-3-11)12-8-19-9-12/h6-7,11-12H,2-5,8-9,17H2,1H3
InChIKeyBUJRATDSOQAGQZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.29
Rot. Bonds2

About 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline

2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline (PubChem CID 89112753) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
PubChem CID89112753
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
SMILESCc1cc(N)c(F)cc1C1CCN(C2COC2)CC1
InChIInChI=1S/C15H21FN2O/c1-10-6-15(17)14(16)7-13(10)11-2-4-18(5-3-11)12-8-19-9-12/h6-7,11-12H,2-5,8-9,17H2,1H3
InChIKeyBUJRATDSOQAGQZ-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The IUPAC name of 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline (CID 89112753) is 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline is Cc1cc(N)c(F)cc1C1CCN(C2COC2)CC1.
What is the InChIKey of 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The InChIKey is BUJRATDSOQAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-6-15(17)14(16)7-13(10)11-2-4-18(5-3-11)12-8-19-9-12/h6-7,11-12H,2-5,8-9,17H2,1H3.
What are the key properties of 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline has a molecular weight of 264.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline is sourced from PubChem (CID 89112753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).