N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

C18H36N2O — CID 14419058

IUPACN-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCCCCCCCCN(C=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-20(15-21)16-13-17(2,3)19-18(4,5)14-16/h15-16,19H,6-14H2,1-5H3
InChIKeyRLKVDNCNPGSFDO-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.11
Rot. Bonds9

About N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 14419058) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID14419058
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCCCCCCCCN(C=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-20(15-21)16-13-17(2,3)19-18(4,5)14-16/h15-16,19H,6-14H2,1-5H3
InChIKeyRLKVDNCNPGSFDO-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 14419058) is N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is CCCCCCCCN(C=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is RLKVDNCNPGSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-7-8-9-10-11-12-20(15-21)16-13-17(2,3)19-18(4,5)14-16/h15-16,19H,6-14H2,1-5H3.
What are the key properties of N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 296.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 14419058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).