2-(2-propylpiperidin-1-yl)acetaldehyde

C10H19NO — CID 83056562

IUPAC2-(2-propylpiperidin-1-yl)acetaldehyde
SMILESCCCC1CCCCN1CC=O
InChIInChI=1S/C10H19NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h9-10H,2-8H2,1H3
InChIKeyZKRVIABTNBCAOE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-propylpiperidin-1-yl)acetaldehyde

2-(2-propylpiperidin-1-yl)acetaldehyde (PubChem CID 83056562) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-propylpiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-propylpiperidin-1-yl)acetaldehyde
PubChem CID83056562
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2-propylpiperidin-1-yl)acetaldehyde
SMILESCCCC1CCCCN1CC=O
InChIInChI=1S/C10H19NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h9-10H,2-8H2,1H3
InChIKeyZKRVIABTNBCAOE-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-ynyl-2-propylpiperidine
CID 83061576
methyl (Z)-2-ethyl-4-(2-propylpiperidin-1-yl)but-2-enoate
CID 83056283
1-pentyl-2-propylpiperidine
CID 54429991
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 83062606
3,3-dimethyl-2-[(2-propylpiperidin-1-yl)methyl]butane-1-thiol
CID 83057463
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-propylpiperidin-1-yl)acetaldehyde (CID 83056562) is 2-(2-propylpiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-propylpiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-propylpiperidin-1-yl)acetaldehyde is CCCC1CCCCN1CC=O.
What is the InChIKey of 2-(2-propylpiperidin-1-yl)acetaldehyde?
The InChIKey is ZKRVIABTNBCAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-10-6-3-4-7-11(10)8-9-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-(2-propylpiperidin-1-yl)acetaldehyde?
2-(2-propylpiperidin-1-yl)acetaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 83056562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).