(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone

C13H15ClINO — CID 103734678

IUPAC(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHNNZPBMNTBBGFJ-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.96
Rot. Bonds1

About (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone

(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 103734678) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID103734678
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHNNZPBMNTBBGFJ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
1-(3-chloro-4-iodobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 103211616
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 104629244
(3-chloro-4-iodophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 103209404
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
1-(3-chloro-4-iodobenzoyl)piperidine-2-carbothioamide
CID 103220798
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
2,6-dichloro-4-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 94861983

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone (CID 103734678) is (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is HNNZPBMNTBBGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone?
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 363.63 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103734678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).