ethyl 2-(1-iodopiperidin-4-yl)acetate

C9H16INO2 — CID 122597467

IUPACethyl 2-(1-iodopiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(I)CC1
InChIInChI=1S/C9H16INO2/c1-2-13-9(12)7-8-3-5-11(10)6-4-8/h8H,2-7H2,1H3
InChIKeyJEEHGEWZFWZCTC-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-(1-iodopiperidin-4-yl)acetate

ethyl 2-(1-iodopiperidin-4-yl)acetate (PubChem CID 122597467) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is ethyl 2-(1-iodopiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-iodopiperidin-4-yl)acetate
PubChem CID122597467
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC Nameethyl 2-(1-iodopiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CCN(I)CC1
InChIInChI=1S/C9H16INO2/c1-2-13-9(12)7-8-3-5-11(10)6-4-8/h8H,2-7H2,1H3
InChIKeyJEEHGEWZFWZCTC-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-[1-[(2S)-2-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
CID 67406179
butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 150128918
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
CID 1472673
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(azocan-5-yl)acetate
CID 123423074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-iodopiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-iodopiperidin-4-yl)acetate (CID 122597467) is ethyl 2-(1-iodopiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-iodopiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-iodopiperidin-4-yl)acetate is CCOC(=O)CC1CCN(I)CC1.
What is the InChIKey of ethyl 2-(1-iodopiperidin-4-yl)acetate?
The InChIKey is JEEHGEWZFWZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO2/c1-2-13-9(12)7-8-3-5-11(10)6-4-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-(1-iodopiperidin-4-yl)acetate?
ethyl 2-(1-iodopiperidin-4-yl)acetate has a molecular weight of 297.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-iodopiperidin-4-yl)acetate is sourced from PubChem (CID 122597467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).