4-[3-(phenoxymethyl)furan-2-yl]piperidine

C16H19NO2 — CID 53390871

IUPAC4-[3-(phenoxymethyl)furan-2-yl]piperidine
SMILESc1ccc(OCc2ccoc2C2CCNCC2)cc1
InChIInChI=1S/C16H19NO2/c1-2-4-15(5-3-1)19-12-14-8-11-18-16(14)13-6-9-17-10-7-13/h1-5,8,11,13,17H,6-7,9-10,12H2
InChIKeyWLRLRZYBNMZYMA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds4

About 4-[3-(phenoxymethyl)furan-2-yl]piperidine

4-[3-(phenoxymethyl)furan-2-yl]piperidine (PubChem CID 53390871) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[3-(phenoxymethyl)furan-2-yl]piperidine.

Molecular Properties

Compound Name4-[3-(phenoxymethyl)furan-2-yl]piperidine
PubChem CID53390871
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[3-(phenoxymethyl)furan-2-yl]piperidine
SMILESc1ccc(OCc2ccoc2C2CCNCC2)cc1
InChIInChI=1S/C16H19NO2/c1-2-4-15(5-3-1)19-12-14-8-11-18-16(14)13-6-9-17-10-7-13/h1-5,8,11,13,17H,6-7,9-10,12H2
InChIKeyWLRLRZYBNMZYMA-UHFFFAOYSA-N
XLogP3.33
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(phenoxymethyl)furan-2-yl]piperidine?
The IUPAC name of 4-[3-(phenoxymethyl)furan-2-yl]piperidine (CID 53390871) is 4-[3-(phenoxymethyl)furan-2-yl]piperidine.
What is the SMILES notation for 4-[3-(phenoxymethyl)furan-2-yl]piperidine?
The canonical SMILES for 4-[3-(phenoxymethyl)furan-2-yl]piperidine is c1ccc(OCc2ccoc2C2CCNCC2)cc1.
What is the InChIKey of 4-[3-(phenoxymethyl)furan-2-yl]piperidine?
The InChIKey is WLRLRZYBNMZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-4-15(5-3-1)19-12-14-8-11-18-16(14)13-6-9-17-10-7-13/h1-5,8,11,13,17H,6-7,9-10,12H2.
What are the key properties of 4-[3-(phenoxymethyl)furan-2-yl]piperidine?
4-[3-(phenoxymethyl)furan-2-yl]piperidine has a molecular weight of 257.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(phenoxymethyl)furan-2-yl]piperidine is sourced from PubChem (CID 53390871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).