1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane

C15H31NO — CID 91334879

IUPAC1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
SMILESCC.CCC1(CC)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO.C2H6/c1-5-13(6-2)7-9-14(10-8-13)12(15)11(3)4;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyHJISKKBIIPQPCD-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.10
Rot. Bonds3

About 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane

1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane (PubChem CID 91334879) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
PubChem CID91334879
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
SMILESCC.CCC1(CC)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO.C2H6/c1-5-13(6-2)7-9-14(10-8-13)12(15)11(3)4;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyHJISKKBIIPQPCD-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane (CID 91334879) is 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane is CC.CCC1(CC)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane?
The InChIKey is HJISKKBIIPQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6/c1-5-13(6-2)7-9-14(10-8-13)12(15)11(3)4;1-2/h11H,5-10H2,1-4H3;1-2H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane?
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane has a molecular weight of 241.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane is sourced from PubChem (CID 91334879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).