1-(2-methyliminopiperidin-1-yl)ethanone

C8H14N2O — CID 21344836

IUPAC1-(2-methyliminopiperidin-1-yl)ethanone
SMILESC/N=C1\CCCCN1C(C)=O
InChIInChI=1S/C8H14N2O/c1-7(11)10-6-4-3-5-8(10)9-2/h3-6H2,1-2H3/b9-8+
InChIKeySYHNAIIUAGUZMF-CMDGGOBGSA-N
MW154.21 g/mol
LogP1.05
Rot. Bonds

About 1-(2-methyliminopiperidin-1-yl)ethanone

1-(2-methyliminopiperidin-1-yl)ethanone (PubChem CID 21344836) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methyliminopiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyliminopiperidin-1-yl)ethanone
PubChem CID21344836
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(2-methyliminopiperidin-1-yl)ethanone
SMILESC/N=C1\CCCCN1C(C)=O
InChIInChI=1S/C8H14N2O/c1-7(11)10-6-4-3-5-8(10)9-2/h3-6H2,1-2H3/b9-8+
InChIKeySYHNAIIUAGUZMF-CMDGGOBGSA-N
XLogP1.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyliminopiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyliminopiperidin-1-yl)ethanone (CID 21344836) is 1-(2-methyliminopiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyliminopiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyliminopiperidin-1-yl)ethanone is C/N=C1\CCCCN1C(C)=O.
What is the InChIKey of 1-(2-methyliminopiperidin-1-yl)ethanone?
The InChIKey is SYHNAIIUAGUZMF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11)10-6-4-3-5-8(10)9-2/h3-6H2,1-2H3/b9-8+.
What are the key properties of 1-(2-methyliminopiperidin-1-yl)ethanone?
1-(2-methyliminopiperidin-1-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyliminopiperidin-1-yl)ethanone is sourced from PubChem (CID 21344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).