3-fluoro-5-(4-methylpiperidin-1-yl)aniline

C12H17FN2 — CID 60874969

IUPAC3-fluoro-5-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C12H17FN2/c1-9-2-4-15(5-3-9)12-7-10(13)6-11(14)8-12/h6-9H,2-5,14H2,1H3
InChIKeyIWJJXSJTBSALTE-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.64
Rot. Bonds1

About 3-fluoro-5-(4-methylpiperidin-1-yl)aniline

3-fluoro-5-(4-methylpiperidin-1-yl)aniline (PubChem CID 60874969) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-fluoro-5-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(4-methylpiperidin-1-yl)aniline
PubChem CID60874969
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-fluoro-5-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C12H17FN2/c1-9-2-4-15(5-3-9)12-7-10(13)6-11(14)8-12/h6-9H,2-5,14H2,1H3
InChIKeyIWJJXSJTBSALTE-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
CID 60877658
3-fluoro-5-(2-methylazetidin-1-yl)aniline
CID 107335478
[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]boronic acid
CID 91759299
1-(3-ethenyl-5-fluorophenyl)-4-methylpiperidine
CID 143171208
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
1-[3-fluoro-5-(4-methylpiperidin-1-yl)phenyl]ethenol
CID 143171275
2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
CID 54988921
3-fluoro-5-(4-methylsulfonylpiperazin-1-yl)aniline
CID 62992237
3-(2,5-dihydropyrrol-1-yl)-5-fluoroaniline
CID 107335472
2-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 79678383
3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63609800
3-(3-ethylpiperidin-1-yl)-5-fluoroaniline
CID 60876528

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 3-fluoro-5-(4-methylpiperidin-1-yl)aniline (CID 60874969) is 3-fluoro-5-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 3-fluoro-5-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2cc(N)cc(F)c2)CC1.
What is the InChIKey of 3-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The InChIKey is IWJJXSJTBSALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-2-4-15(5-3-9)12-7-10(13)6-11(14)8-12/h6-9H,2-5,14H2,1H3.
What are the key properties of 3-fluoro-5-(4-methylpiperidin-1-yl)aniline?
3-fluoro-5-(4-methylpiperidin-1-yl)aniline has a molecular weight of 208.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 60874969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).