3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline

C15H23FN2O — CID 107395599

IUPAC3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
SMILESCOC1(C)CCCN(CCNc2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)7-4-9-18(12-15)10-8-17-14-6-3-5-13(16)11-14/h3,5-6,11,17H,4,7-10,12H2,1-2H3
InChIKeyXSHCTQMVHIZGRG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.74
Rot. Bonds5

About 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline

3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline (PubChem CID 107395599) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
PubChem CID107395599
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline
SMILESCOC1(C)CCCN(CCNc2cccc(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-15(19-2)7-4-9-18(12-15)10-8-17-14-6-3-5-13(16)11-14/h3,5-6,11,17H,4,7-10,12H2,1-2H3
InChIKeyXSHCTQMVHIZGRG-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline (CID 107395599) is 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline is COC1(C)CCCN(CCNc2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline?
The InChIKey is XSHCTQMVHIZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(19-2)7-4-9-18(12-15)10-8-17-14-6-3-5-13(16)11-14/h3,5-6,11,17H,4,7-10,12H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline?
3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline has a molecular weight of 266.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 107395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).