5-fluoro-2-piperidin-4-ylaniline

C11H15FN2 — CID 117103758

IUPAC5-fluoro-2-piperidin-4-ylaniline
SMILESNc1cc(F)ccc1C1CCNCC1
InChIInChI=1S/C11H15FN2/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2
InChIKeyKTTFKSANMFSMRW-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.87
Rot. Bonds1

About 5-fluoro-2-piperidin-4-ylaniline

5-fluoro-2-piperidin-4-ylaniline (PubChem CID 117103758) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-ylaniline.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-ylaniline
PubChem CID117103758
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-fluoro-2-piperidin-4-ylaniline
SMILESNc1cc(F)ccc1C1CCNCC1
InChIInChI=1S/C11H15FN2/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2
InChIKeyKTTFKSANMFSMRW-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-5-fluoroaniline
CID 19754670
3-amino-4-piperidin-4-ylphenol
CID 117103751
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
2-(2-aminocyclopentyl)-5-fluoroaniline
CID 130046042
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
CID 105479129
4-[2-(3-fluorophenoxy)phenyl]piperidine
CID 45375937
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-ylaniline?
The IUPAC name of 5-fluoro-2-piperidin-4-ylaniline (CID 117103758) is 5-fluoro-2-piperidin-4-ylaniline.
What is the SMILES notation for 5-fluoro-2-piperidin-4-ylaniline?
The canonical SMILES for 5-fluoro-2-piperidin-4-ylaniline is Nc1cc(F)ccc1C1CCNCC1.
What is the InChIKey of 5-fluoro-2-piperidin-4-ylaniline?
The InChIKey is KTTFKSANMFSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6,13H2.
What are the key properties of 5-fluoro-2-piperidin-4-ylaniline?
5-fluoro-2-piperidin-4-ylaniline has a molecular weight of 194.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-ylaniline is sourced from PubChem (CID 117103758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).