(3S)-3-fluoro-4-iodo-1-methylpiperidine

C6H11FIN — CID 167016263

IUPAC(3S)-3-fluoro-4-iodo-1-methylpiperidine
SMILESCN1CCC(I)[C@@H](F)C1
InChIInChI=1S/C6H11FIN/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyREWCIFFDHCRXQC-ZBHICJROSA-N
MW243.06 g/mol
LogP1.46
Rot. Bonds

About (3S)-3-fluoro-4-iodo-1-methylpiperidine

(3S)-3-fluoro-4-iodo-1-methylpiperidine (PubChem CID 167016263) has the molecular formula C6H11FIN and a molecular weight of 243.06 g/mol. Its IUPAC name is (3S)-3-fluoro-4-iodo-1-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-4-iodo-1-methylpiperidine
PubChem CID167016263
Molecular FormulaC6H11FIN
Molecular Weight243.06 g/mol
Exact Mass242.99
IUPAC Name(3S)-3-fluoro-4-iodo-1-methylpiperidine
SMILESCN1CCC(I)[C@@H](F)C1
InChIInChI=1S/C6H11FIN/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyREWCIFFDHCRXQC-ZBHICJROSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-methylpiperidin-3-ol
CID 134434558
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
3-fluoro-1-methylpiperidine-4-carboxylic acid
CID 83854511
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
3-iodo-1-methylpiperidine
CID 66569181
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-4-iodo-1-methylpiperidine?
The IUPAC name of (3S)-3-fluoro-4-iodo-1-methylpiperidine (CID 167016263) is (3S)-3-fluoro-4-iodo-1-methylpiperidine.
What is the SMILES notation for (3S)-3-fluoro-4-iodo-1-methylpiperidine?
The canonical SMILES for (3S)-3-fluoro-4-iodo-1-methylpiperidine is CN1CCC(I)[C@@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-4-iodo-1-methylpiperidine?
The InChIKey is REWCIFFDHCRXQC-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11FIN/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of (3S)-3-fluoro-4-iodo-1-methylpiperidine?
(3S)-3-fluoro-4-iodo-1-methylpiperidine has a molecular weight of 243.06 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-4-iodo-1-methylpiperidine is sourced from PubChem (CID 167016263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).