3-fluoro-4-piperidin-1-ylaniline

C11H15FN2 — CID 6485758

IUPAC3-fluoro-4-piperidin-1-ylaniline
SMILESNc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C11H15FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyQBVOAZVDLKSGLR-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.40
Rot. Bonds1

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

3-fluoro-4-piperidin-1-ylaniline (PubChem CID 6485758) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-fluoro-4-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-4-piperidin-1-ylaniline
PubChem CID6485758
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-fluoro-4-piperidin-1-ylaniline
SMILESNc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C11H15FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyQBVOAZVDLKSGLR-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-Phenyl-p-phenylenediamine
CID 7564
N-isopropyl-N'-phenyl-p-phenylenediamine
CID 7573
N-Ethylaniline
CID 7670
N,N-dimethyl-p-phenylenediamine
CID 7472
1-Phenylpiperazine
CID 7096
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
1,1-Dimethyl-4-phenylpiperazinium iodide
CID 5911
N-Butylaniline
CID 14310
1-(2-Fluorophenyl)piperazine
CID 70529

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-piperidin-1-ylaniline?
The IUPAC name of 3-fluoro-4-piperidin-1-ylaniline (CID 6485758) is 3-fluoro-4-piperidin-1-ylaniline.
What is the SMILES notation for 3-fluoro-4-piperidin-1-ylaniline?
The canonical SMILES for 3-fluoro-4-piperidin-1-ylaniline is Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-piperidin-1-ylaniline?
The InChIKey is QBVOAZVDLKSGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-8-9(13)4-5-11(10)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 3-fluoro-4-piperidin-1-ylaniline?
3-fluoro-4-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 3-fluoro-4-piperidin-1-ylaniline is sourced from PubChem (CID 6485758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).