2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one

C15H17BrClNO2 — CID 56570407

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H17BrClNO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-14-4-3-12(17)9-13(14)16/h3-4,9,11H,1,5-8H2,2H3
InChIKeyHKHSQWSKVDGLGJ-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one

2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one (PubChem CID 56570407) has the molecular formula C15H17BrClNO2 and a molecular weight of 358.66 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
PubChem CID56570407
Molecular FormulaC15H17BrClNO2
Molecular Weight358.66 g/mol
Exact Mass357.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
SMILESC=C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H17BrClNO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-14-4-3-12(17)9-13(14)16/h3-4,9,11H,1,5-8H2,2H3
InChIKeyHKHSQWSKVDGLGJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 46561528
1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-chlorophenoxy)propan-1-one
CID 4981432
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 46634903
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 60550124
2-(3,4-dichlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 56570508
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
(2S)-2-(2,4-dibromophenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 124680092
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2-bromo-4-chlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 108765693
1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757628

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one (CID 56570407) is 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one is C=C1CCN(C(=O)C(C)Oc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
The InChIKey is HKHSQWSKVDGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO2/c1-10-5-7-18(8-6-10)15(19)11(2)20-14-4-3-12(17)9-13(14)16/h3-4,9,11H,1,5-8H2,2H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one?
2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one has a molecular weight of 358.66 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(4-methylidenepiperidin-1-yl)propan-1-one is sourced from PubChem (CID 56570407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).