(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

C12H17FIN3O — CID 146487761

IUPAC(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1c(I)cnn1[C@@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C12H17FIN3O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7H2,1H3/t10-,12+/m0/s1
InChIKeyJXZDGRMETBGAHP-CMPLNLGQSA-N
MW365.19 g/mol
LogP1.78
Rot. Bonds2

About (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine

(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (PubChem CID 146487761) has the molecular formula C12H17FIN3O and a molecular weight of 365.19 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
PubChem CID146487761
Molecular FormulaC12H17FIN3O
Molecular Weight365.19 g/mol
Exact Mass365.04
IUPAC Name(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine
SMILESCc1c(I)cnn1[C@@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C12H17FIN3O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7H2,1H3/t10-,12+/m0/s1
InChIKeyJXZDGRMETBGAHP-CMPLNLGQSA-N
XLogP1.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine (CID 146487761) is (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is Cc1c(I)cnn1[C@@H]1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
The InChIKey is JXZDGRMETBGAHP-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17FIN3O/c1-8-11(14)4-15-17(8)12-2-3-16(5-10(12)13)9-6-18-7-9/h4,9-10,12H,2-3,5-7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine?
(3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine has a molecular weight of 365.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(4-iodo-5-methylpyrazol-1-yl)-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 146487761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).