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

C14H18INO — CID 43228407

IUPAC1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-11-4-2-3-9-16(11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyQRSKOXVXIXYKJB-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.35
Rot. Bonds3

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

1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43228407) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID43228407
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-11-4-2-3-9-16(11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyQRSKOXVXIXYKJB-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.35
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-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62467950
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 79188459
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone (CID 43228407) is 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1CC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QRSKOXVXIXYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-11-4-2-3-9-16(11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 343.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43228407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).