1-(3-iodo-4-methylphenyl)piperidin-4-one

C12H14INO — CID 130498128

IUPAC1-(3-iodo-4-methylphenyl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)cc1I
InChIInChI=1S/C12H14INO/c1-9-2-3-10(8-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3
InChIKeyMWJGMRCGAJRECI-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.77
Rot. Bonds1

About 1-(3-iodo-4-methylphenyl)piperidin-4-one

1-(3-iodo-4-methylphenyl)piperidin-4-one (PubChem CID 130498128) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is 1-(3-iodo-4-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-iodo-4-methylphenyl)piperidin-4-one
PubChem CID130498128
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name1-(3-iodo-4-methylphenyl)piperidin-4-one
SMILESCc1ccc(N2CCC(=O)CC2)cc1I
InChIInChI=1S/C12H14INO/c1-9-2-3-10(8-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3
InChIKeyMWJGMRCGAJRECI-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.77
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-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-(4-amino-3-methylphenyl)piperidin-4-one
CID 58962442
1-(3,4-dimethylphenyl)pyrrolidin-3-one
CID 23052682
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
2-methyl-4-(4-oxopiperidin-1-yl)benzonitrile
CID 79019443
N-ethyl-1-(3-iodo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 146412518
3-amino-1-(3-iodo-4-methylphenyl)azetidin-2-one
CID 130498345
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
1-(1H-indol-5-yl)piperidin-4-one
CID 83972067
1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020025
3-(3-iodo-4-methylphenyl)-1H-imidazol-2-one
CID 130498049
4-(4-oxopiperidin-1-yl)benzaldehyde
CID 12717443

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-4-methylphenyl)piperidin-4-one?
The IUPAC name of 1-(3-iodo-4-methylphenyl)piperidin-4-one (CID 130498128) is 1-(3-iodo-4-methylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(3-iodo-4-methylphenyl)piperidin-4-one?
The canonical SMILES for 1-(3-iodo-4-methylphenyl)piperidin-4-one is Cc1ccc(N2CCC(=O)CC2)cc1I.
What is the InChIKey of 1-(3-iodo-4-methylphenyl)piperidin-4-one?
The InChIKey is MWJGMRCGAJRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-9-2-3-10(8-12(9)13)14-6-4-11(15)5-7-14/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(3-iodo-4-methylphenyl)piperidin-4-one?
1-(3-iodo-4-methylphenyl)piperidin-4-one has a molecular weight of 315.15 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-4-methylphenyl)piperidin-4-one is sourced from PubChem (CID 130498128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).