ethane;1-(3-methylpiperidin-1-yl)ethanone

C10H21NO — CID 91356589

IUPACethane;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCCC(C)C1
InChIInChI=1S/C8H15NO.C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyDCXFKOKUXREIMG-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds

About ethane;1-(3-methylpiperidin-1-yl)ethanone

ethane;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 91356589) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-methylpiperidin-1-yl)ethanone
PubChem CID91356589
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-(3-methylpiperidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCCC(C)C1
InChIInChI=1S/C8H15NO.C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyDCXFKOKUXREIMG-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
3-methylpiperidine-1-carboxylic acid
CID 22047728
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
3-methylpiperidine-1-carboxamide
CID 16786142
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of ethane;1-(3-methylpiperidin-1-yl)ethanone (CID 91356589) is ethane;1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for ethane;1-(3-methylpiperidin-1-yl)ethanone is CC.CC(=O)N1CCCC(C)C1.
What is the InChIKey of ethane;1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is DCXFKOKUXREIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-7-4-3-5-9(6-7)8(2)10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-methylpiperidin-1-yl)ethanone?
ethane;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 171.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 91356589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).