(5R,6S)-5-amino-6-phenylpiperidin-2-one

C11H14N2O — CID 59085757

IUPAC(5R,6S)-5-amino-6-phenylpiperidin-2-one
SMILESN[C@@H]1CCC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c12-9-6-7-10(14)13-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1
InChIKeyBKFJIBKJLGSOGY-KOLCDFICSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds1

About (5R,6S)-5-amino-6-phenylpiperidin-2-one

(5R,6S)-5-amino-6-phenylpiperidin-2-one (PubChem CID 59085757) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (5R,6S)-5-amino-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-amino-6-phenylpiperidin-2-one
PubChem CID59085757
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(5R,6S)-5-amino-6-phenylpiperidin-2-one
SMILESN[C@@H]1CCC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c12-9-6-7-10(14)13-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1
InChIKeyBKFJIBKJLGSOGY-KOLCDFICSA-N
XLogP0.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-amino-6-phenylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-amino-6-phenylpiperidin-2-one (CID 59085757) is (5R,6S)-5-amino-6-phenylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-amino-6-phenylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-amino-6-phenylpiperidin-2-one is N[C@@H]1CCC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (5R,6S)-5-amino-6-phenylpiperidin-2-one?
The InChIKey is BKFJIBKJLGSOGY-KOLCDFICSA-N. The full InChI is InChI=1S/C11H14N2O/c12-9-6-7-10(14)13-11(9)8-4-2-1-3-5-8/h1-5,9,11H,6-7,12H2,(H,13,14)/t9-,11+/m1/s1.
What are the key properties of (5R,6S)-5-amino-6-phenylpiperidin-2-one?
(5R,6S)-5-amino-6-phenylpiperidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-amino-6-phenylpiperidin-2-one is sourced from PubChem (CID 59085757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).