2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine

C17H27NO2 — CID 82354042

IUPAC2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1ccc(C)c(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C17H27NO2/c1-14-6-7-15(2)17(13-14)20-12-11-19-10-8-16-5-3-4-9-18-16/h6-7,13,16,18H,3-5,8-12H2,1-2H3
InChIKeyRXLFYIAAWGXOJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.23
Rot. Bonds7

About 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine

2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine (PubChem CID 82354042) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
PubChem CID82354042
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
SMILESCc1ccc(C)c(OCCOCCC2CCCCN2)c1
InChIInChI=1S/C17H27NO2/c1-14-6-7-15(2)17(13-14)20-12-11-19-10-8-16-5-3-4-9-18-16/h6-7,13,16,18H,3-5,8-12H2,1-2H3
InChIKeyRXLFYIAAWGXOJJ-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.23
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

(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 82354053
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040
2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine
CID 66361968
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine (CID 82354042) is 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine is Cc1ccc(C)c(OCCOCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine?
The InChIKey is RXLFYIAAWGXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-6-7-15(2)17(13-14)20-12-11-19-10-8-16-5-3-4-9-18-16/h6-7,13,16,18H,3-5,8-12H2,1-2H3.
What are the key properties of 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine?
2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 82354042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).