1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone

C15H21NO — CID 2838535

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-12-7-6-8-13(2)16(12)15(17)11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyMLILZFACFPQHDN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone

1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone (PubChem CID 2838535) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone
PubChem CID2838535
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-12-7-6-8-13(2)16(12)15(17)11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3
InChIKeyMLILZFACFPQHDN-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone (CID 2838535) is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone is CC1CCCC(C)N1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is MLILZFACFPQHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-6-8-13(2)16(12)15(17)11-14-9-4-3-5-10-14/h3-5,9-10,12-13H,6-8,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 231.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 2838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).