8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one

C15H15BrClNO2 — CID 166035218

IUPAC8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(N3CCC(Cl)CC3)cc(=O)c2c1
InChIInChI=1S/C15H15BrClNO2/c1-9-6-11-13(19)8-14(20-15(11)12(16)7-9)18-4-2-10(17)3-5-18/h6-8,10H,2-5H2,1H3
InChIKeyNXMONQBOJJPWBG-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.07
Rot. Bonds1

About 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one

8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one (PubChem CID 166035218) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one.

Molecular Properties

Compound Name8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one
PubChem CID166035218
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one
SMILESCc1cc(Br)c2oc(N3CCC(Cl)CC3)cc(=O)c2c1
InChIInChI=1S/C15H15BrClNO2/c1-9-6-11-13(19)8-14(20-15(11)12(16)7-9)18-4-2-10(17)3-5-18/h6-8,10H,2-5H2,1H3
InChIKeyNXMONQBOJJPWBG-UHFFFAOYSA-N
XLogP4.07
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one 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

8-(8-bromo-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166035175
8-(1-bromoethyl)-2-(4-methoxypiperidin-1-yl)-6-methylchromen-4-one
CID 166035152
methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
CID 166035063
2-(4-acetylpiperazin-1-yl)-8-(1-bromoethyl)-6-methylchromen-4-one
CID 166035100
2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
CID 175870289
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 86672414
8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
CID 166778749
3-bromo-6-[1-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-2-fluorobenzoic acid
CID 156876455
methyl 2-[2-[2-(4-methoxypiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoate
CID 166772815
8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 156876394
2-(8-bromo-6-methyl-4-oxochromen-2-yl)ethyl formate
CID 174464243
2-[2-[2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoic acid
CID 166772906

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one?
The IUPAC name of 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one (CID 166035218) is 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one.
What is the SMILES notation for 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one?
The canonical SMILES for 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one is Cc1cc(Br)c2oc(N3CCC(Cl)CC3)cc(=O)c2c1.
What is the InChIKey of 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one?
The InChIKey is NXMONQBOJJPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-9-6-11-13(19)8-14(20-15(11)12(16)7-9)18-4-2-10(17)3-5-18/h6-8,10H,2-5H2,1H3.
What are the key properties of 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one?
8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one has a molecular weight of 356.65 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-chloropiperidin-1-yl)-6-methylchromen-4-one is sourced from PubChem (CID 166035218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).