4-amino-1-ethylpiperidine-4-carbaldehyde

C8H16N2O — CID 178037255

IUPAC4-amino-1-ethylpiperidine-4-carbaldehyde
SMILESCCN1CCC(N)(C=O)CC1
InChIInChI=1S/C8H16N2O/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6,9H2,1H3
InChIKeyFZYAJFNHXGAYTA-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.00
Rot. Bonds2

About 4-amino-1-ethylpiperidine-4-carbaldehyde

4-amino-1-ethylpiperidine-4-carbaldehyde (PubChem CID 178037255) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-amino-1-ethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-ethylpiperidine-4-carbaldehyde
PubChem CID178037255
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-amino-1-ethylpiperidine-4-carbaldehyde
SMILESCCN1CCC(N)(C=O)CC1
InChIInChI=1S/C8H16N2O/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6,9H2,1H3
InChIKeyFZYAJFNHXGAYTA-UHFFFAOYSA-N
XLogP-0.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-ethyl-4-methoxyazepane-4-carbaldehyde
CID 105441684
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
N-[(1-ethyl-4-hydroxypiperidin-4-yl)methyl]formamide
CID 54523521
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1,4-diethyl-4-iodopiperidine
CID 118535824
ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
CID 62395927
1-(4-amino-1-ethylpiperidin-4-yl)propan-2-ol
CID 155709822
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
1,4-diethylpiperazine;sulfane
CID 177062456

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylpiperidine-4-carbaldehyde?
The IUPAC name of 4-amino-1-ethylpiperidine-4-carbaldehyde (CID 178037255) is 4-amino-1-ethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-amino-1-ethylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-amino-1-ethylpiperidine-4-carbaldehyde is CCN1CCC(N)(C=O)CC1.
What is the InChIKey of 4-amino-1-ethylpiperidine-4-carbaldehyde?
The InChIKey is FZYAJFNHXGAYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-10-5-3-8(9,7-11)4-6-10/h7H,2-6,9H2,1H3.
What are the key properties of 4-amino-1-ethylpiperidine-4-carbaldehyde?
4-amino-1-ethylpiperidine-4-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 178037255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).