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

C17H25FN2O — CID 89112731

IUPAC2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline
SMILESCc1cc(N)c(F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H25FN2O/c1-12-10-17(19)16(18)11-15(12)13-2-6-20(7-3-13)14-4-8-21-9-5-14/h10-11,13-14H,2-9,19H2,1H3
InChIKeyQEPQVKGMMINUHG-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.07
Rot. Bonds2

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

2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline (PubChem CID 89112731) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline
PubChem CID89112731
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline
SMILESCc1cc(N)c(F)cc1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H25FN2O/c1-12-10-17(19)16(18)11-15(12)13-2-6-20(7-3-13)14-4-8-21-9-5-14/h10-11,13-14H,2-9,19H2,1H3
InChIKeyQEPQVKGMMINUHG-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.07
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-(oxan-4-yl)piperidin-4-yl]aniline?
The IUPAC name of 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline (CID 89112731) is 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline is Cc1cc(N)c(F)cc1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline?
The InChIKey is QEPQVKGMMINUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-10-17(19)16(18)11-15(12)13-2-6-20(7-3-13)14-4-8-21-9-5-14/h10-11,13-14H,2-9,19H2,1H3.
What are the key properties of 2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline?
2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]aniline has a molecular weight of 292.40 g/mol, XLogP of 3.07, 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-(oxan-4-yl)piperidin-4-yl]aniline is sourced from PubChem (CID 89112731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).