3-bromo-5-fluoro-4-piperidin-1-ylaniline

C11H14BrFN2 — CID 84713585

IUPAC3-bromo-5-fluoro-4-piperidin-1-ylaniline
SMILESNc1cc(F)c(N2CCCCC2)c(Br)c1
InChIInChI=1S/C11H14BrFN2/c12-9-6-8(14)7-10(13)11(9)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyZWPLGUBFWWGULZ-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.16
Rot. Bonds1

About 3-bromo-5-fluoro-4-piperidin-1-ylaniline

3-bromo-5-fluoro-4-piperidin-1-ylaniline (PubChem CID 84713585) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-piperidin-1-ylaniline
PubChem CID84713585
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name3-bromo-5-fluoro-4-piperidin-1-ylaniline
SMILESNc1cc(F)c(N2CCCCC2)c(Br)c1
InChIInChI=1S/C11H14BrFN2/c12-9-6-8(14)7-10(13)11(9)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeyZWPLGUBFWWGULZ-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
3-bromo-5-ethyl-4-piperidin-1-ylaniline
CID 91681100
1-(6-bromo-2,3,4-trifluorophenyl)pyrrolidine
CID 168512097
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline
CID 163658782
3-bromo-5-fluoro-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 170658251
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
1-(4-amino-2,6-difluorophenyl)piperidin-3-ol
CID 61016678
1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
4-(2-bromo-4,6-difluorophenyl)morpholine
CID 84714714
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrrolidine
CID 107078854

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-piperidin-1-ylaniline?
The IUPAC name of 3-bromo-5-fluoro-4-piperidin-1-ylaniline (CID 84713585) is 3-bromo-5-fluoro-4-piperidin-1-ylaniline.
What is the SMILES notation for 3-bromo-5-fluoro-4-piperidin-1-ylaniline?
The canonical SMILES for 3-bromo-5-fluoro-4-piperidin-1-ylaniline is Nc1cc(F)c(N2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-4-piperidin-1-ylaniline?
The InChIKey is ZWPLGUBFWWGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-6-8(14)7-10(13)11(9)15-4-2-1-3-5-15/h6-7H,1-5,14H2.
What are the key properties of 3-bromo-5-fluoro-4-piperidin-1-ylaniline?
3-bromo-5-fluoro-4-piperidin-1-ylaniline has a molecular weight of 273.15 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-piperidin-1-ylaniline is sourced from PubChem (CID 84713585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).