1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone

C13H15BrCl2N2O — CID 43773718

IUPAC1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrCl2N2O/c1-8(19)18-4-2-10(3-5-18)17-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5H2,1H3
InChIKeyRBCZWDFNJAXJFM-UHFFFAOYSA-N
MW366.09 g/mol
LogP4.18
Rot. Bonds2

About 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone

1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone (PubChem CID 43773718) has the molecular formula C13H15BrCl2N2O and a molecular weight of 366.09 g/mol. Its IUPAC name is 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
PubChem CID43773718
Molecular FormulaC13H15BrCl2N2O
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC Name1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H15BrCl2N2O/c1-8(19)18-4-2-10(3-5-18)17-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5H2,1H3
InChIKeyRBCZWDFNJAXJFM-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
N-(4-bromo-2,6-dichlorophenyl)-1-methylpyrrolidin-3-amine
CID 62976883
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
1-[4-(2,3,4,5,6-pentafluoroanilino)piperidin-1-yl]ethanone
CID 78911633
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-(4-bromo-2,6-dichlorophenyl)thian-4-amine
CID 43511379
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone (CID 43773718) is 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone?
The InChIKey is RBCZWDFNJAXJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N2O/c1-8(19)18-4-2-10(3-5-18)17-13-11(15)6-9(14)7-12(13)16/h6-7,10,17H,2-5H2,1H3.
What are the key properties of 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone?
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone has a molecular weight of 366.09 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43773718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).