ethane;1-(2-methylpiperidin-1-yl)ethanone;propane

C13H29NO — CID 169253047

IUPACethane;1-(2-methylpiperidin-1-yl)ethanone;propane
SMILESCC.CC(=O)N1CCCCC1C.CCC
InChIInChI=1S/C8H15NO.C3H8.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyTWRYMPSPBOBVQM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.85
Rot. Bonds

About ethane;1-(2-methylpiperidin-1-yl)ethanone;propane

ethane;1-(2-methylpiperidin-1-yl)ethanone;propane (PubChem CID 169253047) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;1-(2-methylpiperidin-1-yl)ethanone;propane.

Molecular Properties

Compound Nameethane;1-(2-methylpiperidin-1-yl)ethanone;propane
PubChem CID169253047
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;1-(2-methylpiperidin-1-yl)ethanone;propane
SMILESCC.CC(=O)N1CCCCC1C.CCC
InChIInChI=1S/C8H15NO.C3H8.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyTWRYMPSPBOBVQM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
CID 159317096
1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
CID 165398573
ethane;methyl formate;1-(2-methylpyrrolidin-1-yl)ethanone
CID 142572417
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
CID 157325729
CID 157325729
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
2-(dipropylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 86910557

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpiperidin-1-yl)ethanone;propane?
The IUPAC name of ethane;1-(2-methylpiperidin-1-yl)ethanone;propane (CID 169253047) is ethane;1-(2-methylpiperidin-1-yl)ethanone;propane.
What is the SMILES notation for ethane;1-(2-methylpiperidin-1-yl)ethanone;propane?
The canonical SMILES for ethane;1-(2-methylpiperidin-1-yl)ethanone;propane is CC.CC(=O)N1CCCCC1C.CCC.
What is the InChIKey of ethane;1-(2-methylpiperidin-1-yl)ethanone;propane?
The InChIKey is TWRYMPSPBOBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C3H8.C2H6/c1-7-5-3-4-6-9(7)8(2)10;1-3-2;1-2/h7H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpiperidin-1-yl)ethanone;propane?
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane has a molecular weight of 215.38 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpiperidin-1-yl)ethanone;propane is sourced from PubChem (CID 169253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).