1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane

C13H29NO — CID 156753838

IUPAC1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC.CC(=O)N1CC(C)CCC1C
InChIInChI=1S/C9H17NO.2C2H6/c1-7-4-5-8(2)10(6-7)9(3)11;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeySHGDSHGZKWVGRH-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.71
Rot. Bonds

About 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane

1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane (PubChem CID 156753838) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
PubChem CID156753838
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
SMILESCC.CC.CC(=O)N1CC(C)CCC1C
InChIInChI=1S/C9H17NO.2C2H6/c1-7-4-5-8(2)10(6-7)9(3)11;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeySHGDSHGZKWVGRH-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
Piperidine, 1-(2-propylvaleryl)-
CID 201026
1-Acetyl-4-methylpiperidine
CID 78341
N-cyclohexyl-N-ethyl-3-methylbutanamide
CID 670174
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
1-Acetyl-2-methylpiperidine
CID 3361050
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
2-Methyl-1-(piperidin-1-yl)propan-1-one
CID 4220866
2-Methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 3528259
1-(2-Ethylpiperidyl)-2-methylpentan-1-one
CID 2889954

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane?
The IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane (CID 156753838) is 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane is CC.CC.CC(=O)N1CC(C)CCC1C.
What is the InChIKey of 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane?
The InChIKey is SHGDSHGZKWVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C2H6/c1-7-4-5-8(2)10(6-7)9(3)11;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane?
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane has a molecular weight of 215.38 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane is sourced from PubChem (CID 156753838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).