1,2,2,6,6-pentamethyl-4-octoxypiperidine

C18H37NO — CID 155074808

IUPAC1,2,2,6,6-pentamethyl-4-octoxypiperidine
SMILESCCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H37NO/c1-7-8-9-10-11-12-13-20-16-14-17(2,3)19(6)18(4,5)15-16/h16H,7-15H2,1-6H3
InChIKeyFWRVUEYQDRFADY-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.01
Rot. Bonds8

About 1,2,2,6,6-pentamethyl-4-octoxypiperidine

1,2,2,6,6-pentamethyl-4-octoxypiperidine (PubChem CID 155074808) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-octoxypiperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-octoxypiperidine
PubChem CID155074808
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1,2,2,6,6-pentamethyl-4-octoxypiperidine
SMILESCCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C18H37NO/c1-7-8-9-10-11-12-13-20-16-14-17(2,3)19(6)18(4,5)15-16/h16H,7-15H2,1-6H3
InChIKeyFWRVUEYQDRFADY-UHFFFAOYSA-N
XLogP5.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,6,6-pentamethyl-4-octoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90849890
CID 90849890
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
1-methoxy-2,2,6,6-tetramethyl-4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethoxy]piperidine
CID 123943572
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
CID 166830264
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
(4-butoxy-2,2,6,6-tetramethylpiperidin-1-yl) nitrate
CID 139948387
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
4-(methoxymethoxy)-1,2,2,6,6-pentamethylpiperidine
CID 59745303
3-butoxy-1-methylcyclobutan-1-amine
CID 118087407
heptoxycyclopropane
CID 54099544
1,2,2,6,6-pentamethyl-4-[8-[(3,3,4,5,5-pentamethylcyclohexyl)oxymethoxy]octoxymethoxy]piperidine
CID 91317203
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180

Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-4-octoxypiperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-octoxypiperidine (CID 155074808) is 1,2,2,6,6-pentamethyl-4-octoxypiperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-octoxypiperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-octoxypiperidine is CCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-octoxypiperidine?
The InChIKey is FWRVUEYQDRFADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-8-9-10-11-12-13-20-16-14-17(2,3)19(6)18(4,5)15-16/h16H,7-15H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-octoxypiperidine?
1,2,2,6,6-pentamethyl-4-octoxypiperidine has a molecular weight of 283.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-4-octoxypiperidine is sourced from PubChem (CID 155074808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).