2-(2-phenoxyethoxymethyl)piperidine

C14H21NO2 — CID 24692889

IUPAC2-(2-phenoxyethoxymethyl)piperidine
SMILESc1ccc(OCCOCC2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-2-7-14(8-3-1)17-11-10-16-12-13-6-4-5-9-15-13/h1-3,7-8,13,15H,4-6,9-12H2
InChIKeyIJRJTKANQBWTCR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-phenoxyethoxymethyl)piperidine

2-(2-phenoxyethoxymethyl)piperidine (PubChem CID 24692889) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-phenoxyethoxymethyl)piperidine.

Molecular Properties

Compound Name2-(2-phenoxyethoxymethyl)piperidine
PubChem CID24692889
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-phenoxyethoxymethyl)piperidine
SMILESc1ccc(OCCOCC2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c1-2-7-14(8-3-1)17-11-10-16-12-13-6-4-5-9-15-13/h1-3,7-8,13,15H,4-6,9-12H2
InChIKeyIJRJTKANQBWTCR-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
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-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
N-methyl-3-phenoxy-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635115
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
3-phenoxy-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638318
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]piperidine
CID 82354047
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
3-(2-phenoxyethoxymethyl)pyrrolidine
CID 56829876
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]piperidine
CID 82354040

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxymethyl)piperidine?
The IUPAC name of 2-(2-phenoxyethoxymethyl)piperidine (CID 24692889) is 2-(2-phenoxyethoxymethyl)piperidine.
What is the SMILES notation for 2-(2-phenoxyethoxymethyl)piperidine?
The canonical SMILES for 2-(2-phenoxyethoxymethyl)piperidine is c1ccc(OCCOCC2CCCCN2)cc1.
What is the InChIKey of 2-(2-phenoxyethoxymethyl)piperidine?
The InChIKey is IJRJTKANQBWTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-7-14(8-3-1)17-11-10-16-12-13-6-4-5-9-15-13/h1-3,7-8,13,15H,4-6,9-12H2.
What are the key properties of 2-(2-phenoxyethoxymethyl)piperidine?
2-(2-phenoxyethoxymethyl)piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxymethyl)piperidine is sourced from PubChem (CID 24692889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).