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

C9H18N2O — CID 62029182

IUPAC2-[ethyl(piperidin-4-yl)amino]acetaldehyde
SMILESCCN(CC=O)C1CCNCC1
InChIInChI=1S/C9H18N2O/c1-2-11(7-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3
InChIKeyRMQKDDWUUJKPGR-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds4

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

2-[ethyl(piperidin-4-yl)amino]acetaldehyde (PubChem CID 62029182) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]acetaldehyde
PubChem CID62029182
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[ethyl(piperidin-4-yl)amino]acetaldehyde
SMILESCCN(CC=O)C1CCNCC1
InChIInChI=1S/C9H18N2O/c1-2-11(7-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3
InChIKeyRMQKDDWUUJKPGR-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
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-[ethyl(piperidin-4-yl)amino]acetaldehyde?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]acetaldehyde (CID 62029182) is 2-[ethyl(piperidin-4-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]acetaldehyde?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]acetaldehyde is CCN(CC=O)C1CCNCC1.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]acetaldehyde?
The InChIKey is RMQKDDWUUJKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-11(7-8-12)9-3-5-10-6-4-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]acetaldehyde?
2-[ethyl(piperidin-4-yl)amino]acetaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]acetaldehyde is sourced from PubChem (CID 62029182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).