2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine

C15H23NO2 — CID 56830572

IUPAC2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
SMILESCOc1ccc(COCCC2CCCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-17-15-7-5-13(6-8-15)12-18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyMNFRKZJKCIQXHF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds6

About 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine

2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine (PubChem CID 56830572) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
PubChem CID56830572
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
SMILESCOc1ccc(COCCC2CCCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-17-15-7-5-13(6-8-15)12-18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKeyMNFRKZJKCIQXHF-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine (CID 56830572) is 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine is COc1ccc(COCCC2CCCCN2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine?
The InChIKey is MNFRKZJKCIQXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-15-7-5-13(6-8-15)12-18-11-9-14-4-2-3-10-16-14/h5-8,14,16H,2-4,9-12H2,1H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine?
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 56830572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).