(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one

C11H13BrN2O — CID 67311120

IUPAC(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
SMILESN[C@H]1CCC(=O)N[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(15)14-11/h1-4,9,11H,5-6,13H2,(H,14,15)/t9-,11-/m0/s1
InChIKeyNPBRAVAKHXHDOA-ONGXEEELSA-N
MW269.14 g/mol
LogP1.73
Rot. Bonds1

About (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one

(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one (PubChem CID 67311120) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
PubChem CID67311120
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
SMILESN[C@H]1CCC(=O)N[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(15)14-11/h1-4,9,11H,5-6,13H2,(H,14,15)/t9-,11-/m0/s1
InChIKeyNPBRAVAKHXHDOA-ONGXEEELSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one?
The IUPAC name of (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one (CID 67311120) is (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one.
What is the SMILES notation for (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one?
The canonical SMILES for (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one is N[C@H]1CCC(=O)N[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one?
The InChIKey is NPBRAVAKHXHDOA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(15)14-11/h1-4,9,11H,5-6,13H2,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one?
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one has a molecular weight of 269.14 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one is sourced from PubChem (CID 67311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).