(3S,5S)-3-fluoro-5-iodopiperidin-1-amine

C5H10FIN2 — CID 155111181

IUPAC(3S,5S)-3-fluoro-5-iodopiperidin-1-amine
SMILESNN1C[C@@H](F)C[C@H](I)C1
InChIInChI=1S/C5H10FIN2/c6-4-1-5(7)3-9(8)2-4/h4-5H,1-3,8H2/t4-,5-/m0/s1
InChIKeyTYXPEZIEVYAOPT-WHFBIAKZSA-N
MW244.05 g/mol
LogP0.71
Rot. Bonds

About (3S,5S)-3-fluoro-5-iodopiperidin-1-amine

(3S,5S)-3-fluoro-5-iodopiperidin-1-amine (PubChem CID 155111181) has the molecular formula C5H10FIN2 and a molecular weight of 244.05 g/mol. Its IUPAC name is (3S,5S)-3-fluoro-5-iodopiperidin-1-amine.

Molecular Properties

Compound Name(3S,5S)-3-fluoro-5-iodopiperidin-1-amine
PubChem CID155111181
Molecular FormulaC5H10FIN2
Molecular Weight244.05 g/mol
Exact Mass243.99
IUPAC Name(3S,5S)-3-fluoro-5-iodopiperidin-1-amine
SMILESNN1C[C@@H](F)C[C@H](I)C1
InChIInChI=1S/C5H10FIN2/c6-4-1-5(7)3-9(8)2-4/h4-5H,1-3,8H2/t4-,5-/m0/s1
InChIKeyTYXPEZIEVYAOPT-WHFBIAKZSA-N
XLogP0.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diiodocyclobutane
CID 522914
3-azabicyclo[3.2.1]octan-3-amine
CID 89097210
6-iodo-3,6-diazabicyclo[3.2.0]heptan-3-amine
CID 155351202
8-methyl-3-azabicyclo[3.2.1]octan-3-amine
CID 135226676
3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-2-amine
CID 145369428
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
2-fluoro-1-azabicyclo[1.1.1]pentane
CID 175577171
3-fluoro-1-azabicyclo[3.2.0]heptane
CID 168880868
(3S)-3-fluoro-1,5-dimethylpiperidine
CID 177326802
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
(3aR,6aR)-5-amino-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497775
(2S)-1-acetyl-4-fluoropyrrolidine-2-carboxylic acid
CID 57315166

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-fluoro-5-iodopiperidin-1-amine?
The IUPAC name of (3S,5S)-3-fluoro-5-iodopiperidin-1-amine (CID 155111181) is (3S,5S)-3-fluoro-5-iodopiperidin-1-amine.
What is the SMILES notation for (3S,5S)-3-fluoro-5-iodopiperidin-1-amine?
The canonical SMILES for (3S,5S)-3-fluoro-5-iodopiperidin-1-amine is NN1C[C@@H](F)C[C@H](I)C1.
What is the InChIKey of (3S,5S)-3-fluoro-5-iodopiperidin-1-amine?
The InChIKey is TYXPEZIEVYAOPT-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10FIN2/c6-4-1-5(7)3-9(8)2-4/h4-5H,1-3,8H2/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-3-fluoro-5-iodopiperidin-1-amine?
(3S,5S)-3-fluoro-5-iodopiperidin-1-amine has a molecular weight of 244.05 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-fluoro-5-iodopiperidin-1-amine is sourced from PubChem (CID 155111181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).