4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine

C19H31NO2 — CID 2270733

IUPAC4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCOc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H31NO2/c1-16(2)18-4-6-19(7-5-18)22-15-14-21-13-12-20-10-8-17(3)9-11-20/h4-7,16-17H,8-15H2,1-3H3
InChIKeyDINYQNXFFKERCH-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.94
Rot. Bonds8

About 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine

4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 2270733) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
PubChem CID2270733
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCOc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H31NO2/c1-16(2)18-4-6-19(7-5-18)22-15-14-21-13-12-20-10-8-17(3)9-11-20/h4-7,16-17H,8-15H2,1-3H3
InChIKeyDINYQNXFFKERCH-UHFFFAOYSA-N
XLogP3.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.94
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-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2934641
4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine
CID 91138223
CID 161147503
CID 161147503
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 166183602
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
4-methyl-1-[2-(4-piperidin-1-ylphenoxy)ethyl]piperidine
CID 129300113
4-methyl-1-[2-[2-(2,4,6-trimethylphenoxy)ethoxy]ethyl]piperidine
CID 16616243
(3S)-3-methyl-1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2181514
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine (CID 2270733) is 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine is CC1CCN(CCOCCOc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is DINYQNXFFKERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16(2)18-4-6-19(7-5-18)22-15-14-21-13-12-20-10-8-17(3)9-11-20/h4-7,16-17H,8-15H2,1-3H3.
What are the key properties of 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 305.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 2270733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).