1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

C21H35NO2 — CID 2934641

IUPAC1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCCC(C)c1ccc(OCCOCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H35NO2/c1-5-19(4)20-6-8-21(9-7-20)24-13-12-23-11-10-22-15-17(2)14-18(3)16-22/h6-9,17-19H,5,10-16H2,1-4H3
InChIKeySWQCGVOTNGYYTN-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.57
Rot. Bonds9

About 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine

1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (PubChem CID 2934641) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
PubChem CID2934641
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
SMILESCCC(C)c1ccc(OCCOCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C21H35NO2/c1-5-19(4)20-6-8-21(9-7-20)24-13-12-23-11-10-22-15-17(2)14-18(3)16-22/h6-9,17-19H,5,10-16H2,1-4H3
InChIKeySWQCGVOTNGYYTN-UHFFFAOYSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.57
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

(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
(2R,6R)-4-[2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7412459
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]indole
CID 71073417
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine (CID 2934641) is 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is CCC(C)c1ccc(OCCOCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
The InChIKey is SWQCGVOTNGYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-5-19(4)20-6-8-21(9-7-20)24-13-12-23-11-10-22-15-17(2)14-18(3)16-22/h6-9,17-19H,5,10-16H2,1-4H3.
What are the key properties of 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine?
1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine has a molecular weight of 333.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 2934641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).