ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone

C10H21NO — CID 176561282

IUPACethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC[C@@H](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/t7-;/m1./s1
InChIKeyDCXFKOKUXREIMG-OGFXRTJISA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds

About ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone

ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 176561282) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID176561282
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC[C@@H](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/t7-;/m1./s1
InChIKeyDCXFKOKUXREIMG-OGFXRTJISA-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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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 176561282) is ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone is CC.CC(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is DCXFKOKUXREIMG-OGFXRTJISA-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/t7-;/m1./s1.
What are the key properties of ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone?
ethane;1-[(3R)-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-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 176561282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).