4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine

C11H19F2IN2O — CID 145279425

IUPAC4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine
SMILESFC1(F)CCNCC1CCN1CCOC(I)C1
InChIInChI=1S/C11H19F2IN2O/c12-11(13)2-3-15-7-9(11)1-4-16-5-6-17-10(14)8-16/h9-10,15H,1-8H2
InChIKeyWJRTVMCXJCCMHP-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.71
Rot. Bonds3

About 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine

4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine (PubChem CID 145279425) has the molecular formula C11H19F2IN2O and a molecular weight of 360.19 g/mol. Its IUPAC name is 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine.

Molecular Properties

Compound Name4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine
PubChem CID145279425
Molecular FormulaC11H19F2IN2O
Molecular Weight360.19 g/mol
Exact Mass360.05
IUPAC Name4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine
SMILESFC1(F)CCNCC1CCN1CCOC(I)C1
InChIInChI=1S/C11H19F2IN2O/c12-11(13)2-3-15-7-9(11)1-4-16-5-6-17-10(14)8-16/h9-10,15H,1-8H2
InChIKeyWJRTVMCXJCCMHP-UHFFFAOYSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-Fluoropiperidin-4-yl)methyl]morpholine
CID 84670892
4-(2,2,2-Trifluoro-ethyl)-1-oxa-4,9-diaza-spiro[5.5]undecane
CID 97628606
3-[2-(Trifluoromethoxy)ethyl]-3,9-diazaspiro[5.5]undecane
CID 175984453
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 63762470
2-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]morpholine
CID 64534654
1-(2-Piperidin-4-yloxyethyl)-3-(trifluoromethyl)piperidine
CID 65538094
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]morpholine
CID 65538562
1-(2-Piperidin-4-yloxyethyl)-4-(trifluoromethyl)piperidine
CID 65538670
2-[1-[2-(Trifluoromethoxy)ethyl]piperidin-3-yl]ethanamine
CID 65803916
2-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]morpholine
CID 66427085
2-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]morpholine
CID 66427086
[3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine
CID 81846818

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine?
The IUPAC name of 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine (CID 145279425) is 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine.
What is the SMILES notation for 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine?
The canonical SMILES for 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine is FC1(F)CCNCC1CCN1CCOC(I)C1.
What is the InChIKey of 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine?
The InChIKey is WJRTVMCXJCCMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2IN2O/c12-11(13)2-3-15-7-9(11)1-4-16-5-6-17-10(14)8-16/h9-10,15H,1-8H2.
What are the key properties of 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine?
4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine has a molecular weight of 360.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-difluoropiperidin-3-yl)ethyl]-2-iodomorpholine is sourced from PubChem (CID 145279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).