2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one

C15H21NO — CID 117019112

IUPAC2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
SMILESCC1(C)C(=O)CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2)14(17)9-6-11-16(15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyMUUWLFUSXWBZAY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds3

About 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one

2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one (PubChem CID 117019112) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
PubChem CID117019112
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
SMILESCC1(C)C(=O)CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2)14(17)9-6-11-16(15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyMUUWLFUSXWBZAY-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
CID 102467762
3,3-dimethyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 10514518
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
CID 115275193
2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
2-benzyl-1,3,3-trimethylpiperidin-4-one
CID 21448643
1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
CID 69267798

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one?
The IUPAC name of 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one (CID 117019112) is 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one is CC1(C)C(=O)CCCN1CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one?
The InChIKey is MUUWLFUSXWBZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2)14(17)9-6-11-16(15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one?
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one has a molecular weight of 231.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one is sourced from PubChem (CID 117019112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).