2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone

C9H16INO2 — CID 143842263

IUPAC2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(C(=O)CI)C1
InChIInChI=1S/C9H16INO2/c1-13-7-8-3-2-4-11(6-8)9(12)5-10/h8H,2-7H2,1H3
InChIKeyWTUQJWMXVCSLKA-UHFFFAOYSA-N
MW297.14 g/mol
LogP1.31
Rot. Bonds3

About 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone

2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 143842263) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID143842263
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC Name2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(C(=O)CI)C1
InChIInChI=1S/C9H16INO2/c1-13-7-8-3-2-4-11(6-8)9(12)5-10/h8H,2-7H2,1H3
InChIKeyWTUQJWMXVCSLKA-UHFFFAOYSA-N
XLogP1.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
N-[2-[3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 164604576
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 103810666
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
(E)-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129414306

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone (CID 143842263) is 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCCN(C(=O)CI)C1.
What is the InChIKey of 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is WTUQJWMXVCSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO2/c1-13-7-8-3-2-4-11(6-8)9(12)5-10/h8H,2-7H2,1H3.
What are the key properties of 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone?
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 297.14 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 143842263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).