2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone

C18H21NO — CID 116685105

IUPAC2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
SMILESCC1CCCC(CC(=O)c2cccc3ccccc23)N1
InChIInChI=1S/C18H21NO/c1-13-6-4-9-15(19-13)12-18(20)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1H3
InChIKeyQYOQXJWFOGQYOC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.94
Rot. Bonds3

About 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone

2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone (PubChem CID 116685105) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
PubChem CID116685105
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
SMILESCC1CCCC(CC(=O)c2cccc3ccccc23)N1
InChIInChI=1S/C18H21NO/c1-13-6-4-9-15(19-13)12-18(20)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1H3
InChIKeyQYOQXJWFOGQYOC-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
CID 102893582
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
dimethyl-(2-naphthalen-1-yl-2-oxoethyl)sulfanium
CID 58905973
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one
CID 73264338

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone (CID 116685105) is 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone is CC1CCCC(CC(=O)c2cccc3ccccc23)N1.
What is the InChIKey of 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The InChIKey is QYOQXJWFOGQYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-6-4-9-15(19-13)12-18(20)17-11-5-8-14-7-2-3-10-16(14)17/h2-3,5,7-8,10-11,13,15,19H,4,6,9,12H2,1H3.
What are the key properties of 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone has a molecular weight of 267.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 116685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).