2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde

C27H50N2O2 — CID 174471334

IUPAC2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde
SMILESCCCCCCCCCCCCC1CC(C(=O)C=O)N(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-24(25(31)21-30)29(20-22)23-18-26(2,3)28-27(4,5)19-23/h21-24,28H,6-20H2,1-5H3
InChIKeyFZJIAUNVLJHUDP-UHFFFAOYSA-N
MW434.71 g/mol
LogP6.07
Rot. Bonds14

About 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde

2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde (PubChem CID 174471334) has the molecular formula C27H50N2O2 and a molecular weight of 434.71 g/mol. Its IUPAC name is 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde
PubChem CID174471334
Molecular FormulaC27H50N2O2
Molecular Weight434.71 g/mol
Exact Mass434.39
IUPAC Name2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde
SMILESCCCCCCCCCCCCC1CC(C(=O)C=O)N(C2CC(C)(C)NC(C)(C)C2)C1
InChIInChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-24(25(31)21-30)29(20-22)23-18-26(2,3)28-27(4,5)19-23/h21-24,28H,6-20H2,1-5H3
InChIKeyFZJIAUNVLJHUDP-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde?
The IUPAC name of 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde (CID 174471334) is 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde is CCCCCCCCCCCCC1CC(C(=O)C=O)N(C2CC(C)(C)NC(C)(C)C2)C1.
What is the InChIKey of 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde?
The InChIKey is FZJIAUNVLJHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-24(25(31)21-30)29(20-22)23-18-26(2,3)28-27(4,5)19-23/h21-24,28H,6-20H2,1-5H3.
What are the key properties of 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde?
2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde has a molecular weight of 434.71 g/mol, XLogP of 6.07, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-2-yl]-2-oxoacetaldehyde is sourced from PubChem (CID 174471334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).