1-amino-3-phenylpiperidin-2-one

C11H14N2O — CID 66839021

IUPAC1-amino-3-phenylpiperidin-2-one
SMILESNN1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C11H14N2O/c12-13-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2
InChIKeyNTAFVVUUCYSDRX-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.27
Rot. Bonds1

About 1-amino-3-phenylpiperidin-2-one

1-amino-3-phenylpiperidin-2-one (PubChem CID 66839021) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-amino-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-amino-3-phenylpiperidin-2-one
PubChem CID66839021
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-amino-3-phenylpiperidin-2-one
SMILESNN1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C11H14N2O/c12-13-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2
InChIKeyNTAFVVUUCYSDRX-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenylpiperidin-2-one?
The IUPAC name of 1-amino-3-phenylpiperidin-2-one (CID 66839021) is 1-amino-3-phenylpiperidin-2-one.
What is the SMILES notation for 1-amino-3-phenylpiperidin-2-one?
The canonical SMILES for 1-amino-3-phenylpiperidin-2-one is NN1CCCC(c2ccccc2)C1=O.
What is the InChIKey of 1-amino-3-phenylpiperidin-2-one?
The InChIKey is NTAFVVUUCYSDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-13-8-4-7-10(11(13)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2.
What are the key properties of 1-amino-3-phenylpiperidin-2-one?
1-amino-3-phenylpiperidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenylpiperidin-2-one is sourced from PubChem (CID 66839021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).