4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine

C17H27NO2 — CID 153398685

IUPAC4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
SMILESCCC1CCN(CCOCCOc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-2-16-8-10-18(11-9-16)12-13-19-14-15-20-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3
InChIKeyWAYYLOZYYTWHIQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds8

About 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine

4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine (PubChem CID 153398685) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
PubChem CID153398685
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
SMILESCCC1CCN(CCOCCOc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-2-16-8-10-18(11-9-16)12-13-19-14-15-20-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3
InChIKeyWAYYLOZYYTWHIQ-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
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

3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 71933259
1-(4-methylpiperidin-1-yl)sulfonyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine
CID 166183602
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
3-[2-(4-ethylpiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 61421199

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The IUPAC name of 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine (CID 153398685) is 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The canonical SMILES for 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine is CCC1CCN(CCOCCOc2ccccc2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The InChIKey is WAYYLOZYYTWHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-16-8-10-18(11-9-16)12-13-19-14-15-20-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3.
What are the key properties of 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine is sourced from PubChem (CID 153398685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).