3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine

C16H25NO2 — CID 2923366

IUPAC3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
SMILESCC1CCCN(CCOCCOc2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-15-6-5-9-17(14-15)10-11-18-12-13-19-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyDCDAFJIPLAOGCH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds7

About 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine

3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine (PubChem CID 2923366) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
PubChem CID2923366
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
SMILESCC1CCCN(CCOCCOc2ccccc2)C1
InChIInChI=1S/C16H25NO2/c1-15-6-5-9-17(14-15)10-11-18-12-13-19-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
InChIKeyDCDAFJIPLAOGCH-UHFFFAOYSA-N
XLogP2.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
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

Pramoxine
CID 4886
Piperoxan
CID 6040
Domiphen Bromide
CID 10866
Pramoxine Hydrochloride
CID 73957
Bephenium
CID 19667
Benproperine
CID 2326
Fomocaine
CID 71693
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
Guaiactamine
CID 36190
Guaiapate
CID 70066
1-(2-Allylphenoxy)-3-morpholinopropan-2-ol
CID 2769774
1-(4-Phenoxybutyl)piperidine
CID 2057411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The IUPAC name of 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine (CID 2923366) is 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine.
What is the SMILES notation for 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The canonical SMILES for 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine is CC1CCCN(CCOCCOc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
The InChIKey is DCDAFJIPLAOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15-6-5-9-17(14-15)10-11-18-12-13-19-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3.
What are the key properties of 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine?
3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine is sourced from PubChem (CID 2923366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).