(3R)-1-benzyl-3-bromopiperidin-4-one

C12H14BrNO — CID 92975934

IUPAC(3R)-1-benzyl-3-bromopiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)C[C@H]1Br
InChIInChI=1S/C12H14BrNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1
InChIKeyWYAPDFWEFUDKDF-LLVKDONJSA-N
MW268.15 g/mol
LogP2.22
Rot. Bonds2

About (3R)-1-benzyl-3-bromopiperidin-4-one

(3R)-1-benzyl-3-bromopiperidin-4-one (PubChem CID 92975934) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (3R)-1-benzyl-3-bromopiperidin-4-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-bromopiperidin-4-one
PubChem CID92975934
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(3R)-1-benzyl-3-bromopiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)C[C@H]1Br
InChIInChI=1S/C12H14BrNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1
InChIKeyWYAPDFWEFUDKDF-LLVKDONJSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-methylpiperidin-4-one
CID 560965
1-benzyl-4-oxopiperidine-3-carbaldehyde
CID 88586790
(3R)-3-benzhydryl-1-benzylpiperidin-4-one
CID 86328824
1-benzyl-3-phenylmethoxypiperidin-4-one
CID 15096753
3-benzhydryl-1-benzylpiperidin-4-one;hydrochloride
CID 56668292
1-benzyl-3-(4-chlorophenyl)piperidin-4-one
CID 18001162
ethane;methyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 142959894
1-benzyl-3-[(4-phenylcyclohexyl)oxymethyl]piperidin-4-one
CID 164553345
1-benzylpiperidin-4-one;butane
CID 70571840
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(3-bromophenyl)methyl]-3-ethylpiperidin-4-one
CID 114508762

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-bromopiperidin-4-one?
The IUPAC name of (3R)-1-benzyl-3-bromopiperidin-4-one (CID 92975934) is (3R)-1-benzyl-3-bromopiperidin-4-one.
What is the SMILES notation for (3R)-1-benzyl-3-bromopiperidin-4-one?
The canonical SMILES for (3R)-1-benzyl-3-bromopiperidin-4-one is O=C1CCN(Cc2ccccc2)C[C@H]1Br.
What is the InChIKey of (3R)-1-benzyl-3-bromopiperidin-4-one?
The InChIKey is WYAPDFWEFUDKDF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-bromopiperidin-4-one?
(3R)-1-benzyl-3-bromopiperidin-4-one has a molecular weight of 268.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-bromopiperidin-4-one is sourced from PubChem (CID 92975934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).