2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine

C18H29NO2 — CID 82354053

IUPAC2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
SMILESCC(C)c1ccccc1OCCOCCC1CCCCN1
InChIInChI=1S/C18H29NO2/c1-15(2)17-8-3-4-9-18(17)21-14-13-20-12-10-16-7-5-6-11-19-16/h3-4,8-9,15-16,19H,5-7,10-14H2,1-2H3
InChIKeySPSUZKVOOWZEPK-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.74
Rot. Bonds8

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

2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 82354053) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
PubChem CID82354053
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
SMILESCC(C)c1ccccc1OCCOCCC1CCCCN1
InChIInChI=1S/C18H29NO2/c1-15(2)17-8-3-4-9-18(17)21-14-13-20-12-10-16-7-5-6-11-19-16/h3-4,8-9,15-16,19H,5-7,10-14H2,1-2H3
InChIKeySPSUZKVOOWZEPK-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine (CID 82354053) is 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine is CC(C)c1ccccc1OCCOCCC1CCCCN1.
What is the InChIKey of 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is SPSUZKVOOWZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)17-8-3-4-9-18(17)21-14-13-20-12-10-16-7-5-6-11-19-16/h3-4,8-9,15-16,19H,5-7,10-14H2,1-2H3.
What are the key properties of 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine?
2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 291.43 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 82354053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).