4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide

C21H42N2O3 — CID 139642514

IUPAC4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
SMILESCCCCCCCCON1C(C)(C)CC(NC(=O)CCCO)CC1(C)C
InChIInChI=1S/C21H42N2O3/c1-6-7-8-9-10-11-15-26-23-20(2,3)16-18(17-21(23,4)5)22-19(25)13-12-14-24/h18,24H,6-17H2,1-5H3,(H,22,25)
InChIKeyHXOFMFRKIXAJCR-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.19
Rot. Bonds12

About 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide

4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide (PubChem CID 139642514) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
PubChem CID139642514
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Name4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
SMILESCCCCCCCCON1C(C)(C)CC(NC(=O)CCCO)CC1(C)C
InChIInChI=1S/C21H42N2O3/c1-6-7-8-9-10-11-15-26-23-20(2,3)16-18(17-21(23,4)5)22-19(25)13-12-14-24/h18,24H,6-17H2,1-5H3,(H,22,25)
InChIKeyHXOFMFRKIXAJCR-UHFFFAOYSA-N
XLogP4.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 101170549
CID 101170549
CID 153419566
CID 153419566
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
N'-(2-ethoxyphenyl)-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxamide
CID 19831358
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
CID 157140421

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide (CID 139642514) is 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide is CCCCCCCCON1C(C)(C)CC(NC(=O)CCCO)CC1(C)C.
What is the InChIKey of 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide?
The InChIKey is HXOFMFRKIXAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3/c1-6-7-8-9-10-11-15-26-23-20(2,3)16-18(17-21(23,4)5)22-19(25)13-12-14-24/h18,24H,6-17H2,1-5H3,(H,22,25).
What are the key properties of 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide?
4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide has a molecular weight of 370.58 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide is sourced from PubChem (CID 139642514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).