ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate

C14H18FIN2O2 — CID 79768815

IUPACethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C14H18FIN2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyJAMLNRTVZGHVND-UHFFFAOYSA-N
MW392.21 g/mol
LogP3.46
Rot. Bonds3

About ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate

ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate (PubChem CID 79768815) has the molecular formula C14H18FIN2O2 and a molecular weight of 392.21 g/mol. Its IUPAC name is ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
PubChem CID79768815
Molecular FormulaC14H18FIN2O2
Molecular Weight392.21 g/mol
Exact Mass392.04
IUPAC Nameethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C14H18FIN2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyJAMLNRTVZGHVND-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
ethyl 4-(2,4-dibromoanilino)piperidine-1-carboxylate
CID 43780824
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-(4-bromo-2,3-dichloroanilino)piperidine-1-carboxylate
CID 107787982
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-(4-chloro-2-formamidoanilino)piperidine-1-carboxylate
CID 168651983
ethyl 4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate
CID 134124384
ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate (CID 79768815) is ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(F)cc2I)CC1.
What is the InChIKey of ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate?
The InChIKey is JAMLNRTVZGHVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8H2,1H3.
What are the key properties of ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate?
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate has a molecular weight of 392.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate is sourced from PubChem (CID 79768815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).