1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde

C16H36N2O2 — CID 145076937

IUPAC1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde
SMILESCC.CC.CC(C)=NOCC=O.CC1CCN(C)CC1
InChIInChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-5(2)6-8-4-3-7;2*1-2/h7H,3-6H2,1-2H3;3H,4H2,1-2H3;2*1-2H3
InChIKeyAXSRTRIGCIVNTO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.00
Rot. Bonds3

About 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde

1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde (PubChem CID 145076937) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde.

Molecular Properties

Compound Name1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde
PubChem CID145076937
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde
SMILESCC.CC.CC(C)=NOCC=O.CC1CCN(C)CC1
InChIInChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-5(2)6-8-4-3-7;2*1-2/h7H,3-6H2,1-2H3;3H,4H2,1-2H3;2*1-2H3
InChIKeyAXSRTRIGCIVNTO-UHFFFAOYSA-N
XLogP4.00
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde?
The IUPAC name of 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde (CID 145076937) is 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde.
What is the SMILES notation for 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde?
The canonical SMILES for 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde is CC.CC.CC(C)=NOCC=O.CC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde?
The InChIKey is AXSRTRIGCIVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H9NO2.2C2H6/c1-7-3-5-8(2)6-4-7;1-5(2)6-8-4-3-7;2*1-2/h7H,3-6H2,1-2H3;3H,4H2,1-2H3;2*1-2H3.
What are the key properties of 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde?
1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde has a molecular weight of 288.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;ethane;2-(propan-2-ylideneamino)oxyacetaldehyde is sourced from PubChem (CID 145076937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).