ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate

C15H19FINO3 — CID 153407770

IUPACethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(I)ccc(OC)c2F)CC1
InChIInChI=1S/C15H19FINO3/c1-3-21-15(19)10-6-8-18(9-7-10)14-11(17)4-5-12(20-2)13(14)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyQMVHATVDCLZXHM-UHFFFAOYSA-N
MW407.22 g/mol
LogP3.22
Rot. Bonds4

About ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate

ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate (PubChem CID 153407770) has the molecular formula C15H19FINO3 and a molecular weight of 407.22 g/mol. Its IUPAC name is ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate
PubChem CID153407770
Molecular FormulaC15H19FINO3
Molecular Weight407.22 g/mol
Exact Mass407.04
IUPAC Nameethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(I)ccc(OC)c2F)CC1
InChIInChI=1S/C15H19FINO3/c1-3-21-15(19)10-6-8-18(9-7-10)14-11(17)4-5-12(20-2)13(14)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyQMVHATVDCLZXHM-UHFFFAOYSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxylate
CID 57457177
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143566802
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate (CID 153407770) is ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(I)ccc(OC)c2F)CC1.
What is the InChIKey of ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate?
The InChIKey is QMVHATVDCLZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FINO3/c1-3-21-15(19)10-6-8-18(9-7-10)14-11(17)4-5-12(20-2)13(14)16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate?
ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate has a molecular weight of 407.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoro-6-iodo-3-methoxyphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 153407770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).