5-fluoro-2-piperidin-1-ylaniline

C11H15FN2 — CID 6485403

IUPAC5-fluoro-2-piperidin-1-ylaniline
SMILESNc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C11H15FN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyCCSBEAVDBGCSOQ-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.40
Rot. Bonds1

About 5-fluoro-2-piperidin-1-ylaniline

5-fluoro-2-piperidin-1-ylaniline (PubChem CID 6485403) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name5-fluoro-2-piperidin-1-ylaniline
PubChem CID6485403
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-fluoro-2-piperidin-1-ylaniline
SMILESNc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C11H15FN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyCCSBEAVDBGCSOQ-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.40
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

2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-1-ylaniline?
The IUPAC name of 5-fluoro-2-piperidin-1-ylaniline (CID 6485403) is 5-fluoro-2-piperidin-1-ylaniline.
What is the SMILES notation for 5-fluoro-2-piperidin-1-ylaniline?
The canonical SMILES for 5-fluoro-2-piperidin-1-ylaniline is Nc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 5-fluoro-2-piperidin-1-ylaniline?
The InChIKey is CCSBEAVDBGCSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 5-fluoro-2-piperidin-1-ylaniline?
5-fluoro-2-piperidin-1-ylaniline has a molecular weight of 194.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-1-ylaniline is sourced from PubChem (CID 6485403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).