2-[methyl(piperidin-4-yl)amino]acetaldehyde

C8H16N2O — CID 62030177

IUPAC2-[methyl(piperidin-4-yl)amino]acetaldehyde
SMILESCN(CC=O)C1CCNCC1
InChIInChI=1S/C8H16N2O/c1-10(6-7-11)8-2-4-9-5-3-8/h7-9H,2-6H2,1H3
InChIKeyGCEYVLYRXXSGHS-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.13
Rot. Bonds3

About 2-[methyl(piperidin-4-yl)amino]acetaldehyde

2-[methyl(piperidin-4-yl)amino]acetaldehyde (PubChem CID 62030177) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]acetaldehyde
PubChem CID62030177
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-[methyl(piperidin-4-yl)amino]acetaldehyde
SMILESCN(CC=O)C1CCNCC1
InChIInChI=1S/C8H16N2O/c1-10(6-7-11)8-2-4-9-5-3-8/h7-9H,2-6H2,1H3
InChIKeyGCEYVLYRXXSGHS-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]acetaldehyde?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]acetaldehyde (CID 62030177) is 2-[methyl(piperidin-4-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]acetaldehyde?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]acetaldehyde is CN(CC=O)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]acetaldehyde?
The InChIKey is GCEYVLYRXXSGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10(6-7-11)8-2-4-9-5-3-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]acetaldehyde?
2-[methyl(piperidin-4-yl)amino]acetaldehyde has a molecular weight of 156.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]acetaldehyde is sourced from PubChem (CID 62030177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).