1-(1,2,5-trimethylpiperidin-4-yl)ethanone

C10H19NO — CID 45086487

IUPAC1-(1,2,5-trimethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CC(C)N(C)CC1C
InChIInChI=1S/C10H19NO/c1-7-6-11(4)8(2)5-10(7)9(3)12/h7-8,10H,5-6H2,1-4H3
InChIKeyBPFBZPJYSZOTPZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds1

About 1-(1,2,5-trimethylpiperidin-4-yl)ethanone

1-(1,2,5-trimethylpiperidin-4-yl)ethanone (PubChem CID 45086487) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(1,2,5-trimethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,5-trimethylpiperidin-4-yl)ethanone
PubChem CID45086487
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(1,2,5-trimethylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CC(C)N(C)CC1C
InChIInChI=1S/C10H19NO/c1-7-6-11(4)8(2)5-10(7)9(3)12/h7-8,10H,5-6H2,1-4H3
InChIKeyBPFBZPJYSZOTPZ-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-trimethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1,2,5-trimethylpiperidin-4-yl)ethanone (CID 45086487) is 1-(1,2,5-trimethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1,2,5-trimethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1,2,5-trimethylpiperidin-4-yl)ethanone is CC(=O)C1CC(C)N(C)CC1C.
What is the InChIKey of 1-(1,2,5-trimethylpiperidin-4-yl)ethanone?
The InChIKey is BPFBZPJYSZOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-6-11(4)8(2)5-10(7)9(3)12/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 1-(1,2,5-trimethylpiperidin-4-yl)ethanone?
1-(1,2,5-trimethylpiperidin-4-yl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-trimethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 45086487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).