4-(2-aminoethyl)piperidine-1-carbaldehyde

C8H16N2O — CID 22377499

IUPAC4-(2-aminoethyl)piperidine-1-carbaldehyde
SMILESNCCC1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O/c9-4-1-8-2-5-10(7-11)6-3-8/h7-8H,1-6,9H2
InChIKeyWMICKUCYDLLIGX-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.20
Rot. Bonds3

About 4-(2-aminoethyl)piperidine-1-carbaldehyde

4-(2-aminoethyl)piperidine-1-carbaldehyde (PubChem CID 22377499) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-aminoethyl)piperidine-1-carbaldehyde
PubChem CID22377499
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(2-aminoethyl)piperidine-1-carbaldehyde
SMILESNCCC1CCN(C=O)CC1
InChIInChI=1S/C8H16N2O/c9-4-1-8-2-5-10(7-11)6-3-8/h7-8H,1-6,9H2
InChIKeyWMICKUCYDLLIGX-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-aminoethyl)piperidine-1-carbaldehyde (CID 22377499) is 4-(2-aminoethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-aminoethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-aminoethyl)piperidine-1-carbaldehyde is NCCC1CCN(C=O)CC1.
What is the InChIKey of 4-(2-aminoethyl)piperidine-1-carbaldehyde?
The InChIKey is WMICKUCYDLLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-4-1-8-2-5-10(7-11)6-3-8/h7-8H,1-6,9H2.
What are the key properties of 4-(2-aminoethyl)piperidine-1-carbaldehyde?
4-(2-aminoethyl)piperidine-1-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 22377499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).