2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone

C15H20INO — CID 61421640

IUPAC2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESCCC1CCN(CC(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO/c1-2-12-7-9-17(10-8-12)11-15(18)13-3-5-14(16)6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeyNCWBVRLNAXBVJG-UHFFFAOYSA-N
MW357.24 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone

2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone (PubChem CID 61421640) has the molecular formula C15H20INO and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
PubChem CID61421640
Molecular FormulaC15H20INO
Molecular Weight357.24 g/mol
Exact Mass357.06
IUPAC Name2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESCCC1CCN(CC(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C15H20INO/c1-2-12-7-9-17(10-8-12)11-15(18)13-3-5-14(16)6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeyNCWBVRLNAXBVJG-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63567700
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 112626508
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 79188459
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
2-(4-butan-2-ylpiperazin-1-yl)-1-(4-iodophenyl)ethanone
CID 62774040
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone (CID 61421640) is 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone is CCC1CCN(CC(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is NCWBVRLNAXBVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO/c1-2-12-7-9-17(10-8-12)11-15(18)13-3-5-14(16)6-4-13/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone?
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 357.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 61421640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).