1,2,2,3-tetramethyl-4-octadecoxypiperidine

C27H55NO — CID 69105177

IUPAC1,2,2,3-tetramethyl-4-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C27H55NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-22-23-28(5)27(3,4)25(26)2/h25-26H,6-24H2,1-5H3
InChIKeyYEXYSKXXQYRTIR-UHFFFAOYSA-N
MW409.74 g/mol
LogP8.38
Rot. Bonds18

About 1,2,2,3-tetramethyl-4-octadecoxypiperidine

1,2,2,3-tetramethyl-4-octadecoxypiperidine (PubChem CID 69105177) has the molecular formula C27H55NO and a molecular weight of 409.74 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-4-octadecoxypiperidine.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-4-octadecoxypiperidine
PubChem CID69105177
Molecular FormulaC27H55NO
Molecular Weight409.74 g/mol
Exact Mass409.43
IUPAC Name1,2,2,3-tetramethyl-4-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCN(C)C(C)(C)C1C
InChIInChI=1S/C27H55NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-22-23-28(5)27(3,4)25(26)2/h25-26H,6-24H2,1-5H3
InChIKeyYEXYSKXXQYRTIR-UHFFFAOYSA-N
XLogP8.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.74
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-4-cyclohexyl-4-propoxypiperidine
CID 3030417
2,2,6-Trimethyl-4-(8-methyloctadecoxy)piperidine
CID 17902157
1-(4-Decoxycyclohexyl)-4-pentylpiperidine
CID 20268628
4-Dodecoxy-1,2,2,6,6-pentamethylpiperidine
CID 20492244
1,2,2,4,6,6-Hexamethyl-4-octadecoxypiperidine
CID 20492335
4-Dodecoxy-2,2,6,6-tetramethyl-1-propylpiperidine
CID 20492454
N,N,2,3,5-pentamethyl-6-propan-2-yloxan-4-amine
CID 20675639
1-(2-Hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine
CID 21292204
6-Butyl-7-ethyl-9-methoxy-7,10-dimethyl-6-azaspiro[4.5]decane
CID 21330384
2,6-Diethyl-4-methoxy-1,2,3,6-tetramethylpiperidine
CID 21330455
2,6-Diethyl-2,3,6-trimethyl-4-octadecoxy-1-prop-2-enylpiperidine
CID 21330494
4-(4-Butoxycyclohexyl)-1,2,2,6,6-pentamethylpiperidine
CID 21541346

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-4-octadecoxypiperidine?
The IUPAC name of 1,2,2,3-tetramethyl-4-octadecoxypiperidine (CID 69105177) is 1,2,2,3-tetramethyl-4-octadecoxypiperidine.
What is the SMILES notation for 1,2,2,3-tetramethyl-4-octadecoxypiperidine?
The canonical SMILES for 1,2,2,3-tetramethyl-4-octadecoxypiperidine is CCCCCCCCCCCCCCCCCCOC1CCN(C)C(C)(C)C1C.
What is the InChIKey of 1,2,2,3-tetramethyl-4-octadecoxypiperidine?
The InChIKey is YEXYSKXXQYRTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-29-26-22-23-28(5)27(3,4)25(26)2/h25-26H,6-24H2,1-5H3.
What are the key properties of 1,2,2,3-tetramethyl-4-octadecoxypiperidine?
1,2,2,3-tetramethyl-4-octadecoxypiperidine has a molecular weight of 409.74 g/mol, XLogP of 8.38, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-4-octadecoxypiperidine is sourced from PubChem (CID 69105177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).