2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine

C23H41NO2 — CID 54042744

IUPAC2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCOc1ccc(C)cc1C.CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H20O.C10H21NO/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3;1-9(2)7-6-8-10(3,4)11(9)12-5/h7-8,10H,4-6,9H2,1-3H3;6-8H2,1-5H3
InChIKeyLNMHLRXOUOIRKJ-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.46
Rot. Bonds6

About 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine

2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 54042744) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID54042744
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCOc1ccc(C)cc1C.CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C13H20O.C10H21NO/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3;1-9(2)7-6-8-10(3,4)11(9)12-5/h7-8,10H,4-6,9H2,1-3H3;6-8H2,1-5H3
InChIKeyLNMHLRXOUOIRKJ-UHFFFAOYSA-N
XLogP6.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-Methylphenoxy)butyl]piperidine
CID 2057322
N-[2-(6,11-Dihydro-dibenzo[b,e]oxepin-2-yl)-ethyl]-N-ethyl-hydroxylamine
CID 10517096
1-[6-(4-Ethylphenoxy)hexyl]-4-methylpiperidine
CID 155523500
1-[4-(2,4-Dimethylphenoxy)butyl]piperidine
CID 2057668
1-[3-(2,4,6-Trimethylphenoxy)propyl]piperidin-4-ol
CID 39376653
1-[3-(2,4-Dimethylphenoxy)propyl]piperidin-4-ol
CID 39363376
1-[3-(2,4-Dimethylphenoxy)propyl]piperidin-3-ol
CID 162656766
4-[3-(2,4-Dimethylphenoxy)propyl]morpholine
CID 2057787
1-[3-(2,6-Dimethylphenoxy)propyl]-4-methylpiperidine
CID 4110511
1-[5-(2-Methylphenoxy)pentyl]piperidine
CID 2057429
2,2,6,6-Tetramethyl-1-[3,3,3-trifluoro-1-(4-methoxyphenyl)propoxy]piperidine
CID 162409714
Cambridge id 5471461
CID 867306

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine (CID 54042744) is 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine is CCCCCOc1ccc(C)cc1C.CON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is LNMHLRXOUOIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C10H21NO/c1-4-5-6-9-14-13-8-7-11(2)10-12(13)3;1-9(2)7-6-8-10(3,4)11(9)12-5/h7-8,10H,4-6,9H2,1-3H3;6-8H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine?
2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 363.59 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-pentoxybenzene;1-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 54042744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).