1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine

C18H29NO2 — CID 2270730

IUPAC1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCc1cc(C)cc(OCCOCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H29NO2/c1-15-4-6-19(7-5-15)8-9-20-10-11-21-18-13-16(2)12-17(3)14-18/h12-15H,4-11H2,1-3H3
InChIKeySYXWDDLPGDHFCP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.43
Rot. Bonds7

About 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine

1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine (PubChem CID 2270730) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
PubChem CID2270730
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
SMILESCc1cc(C)cc(OCCOCCN2CCC(C)CC2)c1
InChIInChI=1S/C18H29NO2/c1-15-4-6-19(7-5-15)8-9-20-10-11-21-18-13-16(2)12-17(3)14-18/h12-15H,4-11H2,1-3H3
InChIKeySYXWDDLPGDHFCP-UHFFFAOYSA-N
XLogP3.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.43
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

4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 16616242
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
(3S)-3-methyl-1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2181514
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 166183602

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine (CID 2270730) is 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine is Cc1cc(C)cc(OCCOCCN2CCC(C)CC2)c1.
What is the InChIKey of 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
The InChIKey is SYXWDDLPGDHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-4-6-19(7-5-15)8-9-20-10-11-21-18-13-16(2)12-17(3)14-18/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine?
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine has a molecular weight of 291.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine is sourced from PubChem (CID 2270730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).