2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one

C14H20N2O — CID 3022752

IUPAC2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2
InChIKeyIZPOHNAFLAXBCQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one

2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 3022752) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID3022752
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2
InChIKeyIZPOHNAFLAXBCQ-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 3022752) is 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is IZPOHNAFLAXBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h1,3-4,7-8,13H,2,5-6,9-11,15H2.
What are the key properties of 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one?
2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3022752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).