2-fluoro-5-[(3S)-piperidin-3-yl]aniline

C11H15FN2 — CID 93478585

IUPAC2-fluoro-5-[(3S)-piperidin-3-yl]aniline
SMILESNc1cc([C@@H]2CCCNC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyTVRQYRZZZAZYAJ-SECBINFHSA-N
MW194.25 g/mol
LogP1.87
Rot. Bonds1

About 2-fluoro-5-[(3S)-piperidin-3-yl]aniline

2-fluoro-5-[(3S)-piperidin-3-yl]aniline (PubChem CID 93478585) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-5-[(3S)-piperidin-3-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[(3S)-piperidin-3-yl]aniline
PubChem CID93478585
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-5-[(3S)-piperidin-3-yl]aniline
SMILESNc1cc([C@@H]2CCCNC2)ccc1F
InChIInChI=1S/C11H15FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyTVRQYRZZZAZYAJ-SECBINFHSA-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-fluoro-5-piperidin-4-ylaniline
CID 24904346
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-bromo-4-piperidin-3-ylaniline
CID 130039466
2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
CID 175797855
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
3-piperidin-3-ylbenzenethiol
CID 116988736
4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
CID 117444808
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
3-(3-chloro-5-fluorophenyl)piperidine
CID 24904336

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3S)-piperidin-3-yl]aniline?
The IUPAC name of 2-fluoro-5-[(3S)-piperidin-3-yl]aniline (CID 93478585) is 2-fluoro-5-[(3S)-piperidin-3-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[(3S)-piperidin-3-yl]aniline?
The canonical SMILES for 2-fluoro-5-[(3S)-piperidin-3-yl]aniline is Nc1cc([C@@H]2CCCNC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(3S)-piperidin-3-yl]aniline?
The InChIKey is TVRQYRZZZAZYAJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2/c12-10-4-3-8(6-11(10)13)9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7,13H2/t9-/m1/s1.
What are the key properties of 2-fluoro-5-[(3S)-piperidin-3-yl]aniline?
2-fluoro-5-[(3S)-piperidin-3-yl]aniline 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 2-fluoro-5-[(3S)-piperidin-3-yl]aniline is sourced from PubChem (CID 93478585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).