5-amino-4-(2-bromophenyl)piperidin-2-one

C11H13BrN2O — CID 82625426

IUPAC5-amino-4-(2-bromophenyl)piperidin-2-one
SMILESNC1CNC(=O)CC1c1ccccc1Br
InChIInChI=1S/C11H13BrN2O/c12-9-4-2-1-3-7(9)8-5-11(15)14-6-10(8)13/h1-4,8,10H,5-6,13H2,(H,14,15)
InChIKeyBURWMUKFNFSSSU-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.38
Rot. Bonds1

About 5-amino-4-(2-bromophenyl)piperidin-2-one

5-amino-4-(2-bromophenyl)piperidin-2-one (PubChem CID 82625426) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-amino-4-(2-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-4-(2-bromophenyl)piperidin-2-one
PubChem CID82625426
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-amino-4-(2-bromophenyl)piperidin-2-one
SMILESNC1CNC(=O)CC1c1ccccc1Br
InChIInChI=1S/C11H13BrN2O/c12-9-4-2-1-3-7(9)8-5-11(15)14-6-10(8)13/h1-4,8,10H,5-6,13H2,(H,14,15)
InChIKeyBURWMUKFNFSSSU-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-bromophenyl)piperidin-2-one?
The IUPAC name of 5-amino-4-(2-bromophenyl)piperidin-2-one (CID 82625426) is 5-amino-4-(2-bromophenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-4-(2-bromophenyl)piperidin-2-one?
The canonical SMILES for 5-amino-4-(2-bromophenyl)piperidin-2-one is NC1CNC(=O)CC1c1ccccc1Br.
What is the InChIKey of 5-amino-4-(2-bromophenyl)piperidin-2-one?
The InChIKey is BURWMUKFNFSSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-4-2-1-3-7(9)8-5-11(15)14-6-10(8)13/h1-4,8,10H,5-6,13H2,(H,14,15).
What are the key properties of 5-amino-4-(2-bromophenyl)piperidin-2-one?
5-amino-4-(2-bromophenyl)piperidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-bromophenyl)piperidin-2-one is sourced from PubChem (CID 82625426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).