(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone

C12H12Br2ClNO — CID 80662663

IUPAC(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(Br)CC1
InChIInChI=1S/C12H12Br2ClNO/c13-8-3-5-16(6-4-8)12(17)10-7-9(14)1-2-11(10)15/h1-2,7-8H,3-6H2
InChIKeyVYKJZEJJDDRKQI-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.10
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone (PubChem CID 80662663) has the molecular formula C12H12Br2ClNO and a molecular weight of 381.50 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
PubChem CID80662663
Molecular FormulaC12H12Br2ClNO
Molecular Weight381.50 g/mol
Exact Mass378.90
IUPAC Name(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCC(Br)CC1
InChIInChI=1S/C12H12Br2ClNO/c13-8-3-5-16(6-4-8)12(17)10-7-9(14)1-2-11(10)15/h1-2,7-8H,3-6H2
InChIKeyVYKJZEJJDDRKQI-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616463
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(5-bromo-2-chlorophenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 90522164
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(5-bromo-2-chlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113268886
(5-bromo-2-chlorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638411

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone (CID 80662663) is (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCC(Br)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone?
The InChIKey is VYKJZEJJDDRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2ClNO/c13-8-3-5-16(6-4-8)12(17)10-7-9(14)1-2-11(10)15/h1-2,7-8H,3-6H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone has a molecular weight of 381.50 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone is sourced from PubChem (CID 80662663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).