5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one

C14H20N2O — CID 64539749

IUPAC5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
SMILESCC(C)c1ccc(C2NC(=O)CCC2N)cc1
InChIInChI=1S/C14H20N2O/c1-9(2)10-3-5-11(6-4-10)14-12(15)7-8-13(17)16-14/h3-6,9,12,14H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyYUEVLQYYFLLOAH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one

5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one (PubChem CID 64539749) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
PubChem CID64539749
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
SMILESCC(C)c1ccc(C2NC(=O)CCC2N)cc1
InChIInChI=1S/C14H20N2O/c1-9(2)10-3-5-11(6-4-10)14-12(15)7-8-13(17)16-14/h3-6,9,12,14H,7-8,15H2,1-2H3,(H,16,17)
InChIKeyYUEVLQYYFLLOAH-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one (CID 64539749) is 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one is CC(C)c1ccc(C2NC(=O)CCC2N)cc1.
What is the InChIKey of 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one?
The InChIKey is YUEVLQYYFLLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)10-3-5-11(6-4-10)14-12(15)7-8-13(17)16-14/h3-6,9,12,14H,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one?
5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one is sourced from PubChem (CID 64539749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).