5-benzyl-5-methylpiperidin-2-one

C13H17NO — CID 102737184

IUPAC5-benzyl-5-methylpiperidin-2-one
SMILESCC1(Cc2ccccc2)CCC(=O)NC1
InChIInChI=1S/C13H17NO/c1-13(8-7-12(15)14-10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeySFJOLNHKIVSOAQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.15
Rot. Bonds2

About 5-benzyl-5-methylpiperidin-2-one

5-benzyl-5-methylpiperidin-2-one (PubChem CID 102737184) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-benzyl-5-methylpiperidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-methylpiperidin-2-one
PubChem CID102737184
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name5-benzyl-5-methylpiperidin-2-one
SMILESCC1(Cc2ccccc2)CCC(=O)NC1
InChIInChI=1S/C13H17NO/c1-13(8-7-12(15)14-10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeySFJOLNHKIVSOAQ-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
3-benzyl-3-methylpyrrolidine
CID 58254769
4,4-dibenzylpyrrolidin-2-one
CID 66107814
3-benzyl-3-methylpyrrolidin-2-one
CID 10420013
5,5-dibenzyl-1,3-diazinan-2-one
CID 10978856
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
2-benzyl-2-methylpiperidin-3-one
CID 115023071
3-ethyl-6-oxopiperidine-3-carboxylic acid
CID 83529536
(3S)-3-[3-(benzylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxylate
CID 6921371
3,9,15-tribenzyl-3,9,15-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
CID 102513519
2-[(1S,5R)-3-benzyl-1,5-dimethyl-3-bicyclo[3.2.0]heptanyl]acetyl chloride
CID 59077274
spiro[piperidine-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
CID 24846104

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methylpiperidin-2-one?
The IUPAC name of 5-benzyl-5-methylpiperidin-2-one (CID 102737184) is 5-benzyl-5-methylpiperidin-2-one.
What is the SMILES notation for 5-benzyl-5-methylpiperidin-2-one?
The canonical SMILES for 5-benzyl-5-methylpiperidin-2-one is CC1(Cc2ccccc2)CCC(=O)NC1.
What is the InChIKey of 5-benzyl-5-methylpiperidin-2-one?
The InChIKey is SFJOLNHKIVSOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(8-7-12(15)14-10-13)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15).
What are the key properties of 5-benzyl-5-methylpiperidin-2-one?
5-benzyl-5-methylpiperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methylpiperidin-2-one is sourced from PubChem (CID 102737184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).