4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine

C15H23NO2 — CID 117377205

IUPAC4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(CC2CCNCC2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-17-11-14-8-13(9-15(10-14)18-2)7-12-3-5-16-6-4-12/h8-10,12,16H,3-7,11H2,1-2H3
InChIKeyKVHVHAVTOGRVAY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.38
Rot. Bonds5

About 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine

4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine (PubChem CID 117377205) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
PubChem CID117377205
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine
SMILESCOCc1cc(CC2CCNCC2)cc(OC)c1
InChIInChI=1S/C15H23NO2/c1-17-11-14-8-13(9-15(10-14)18-2)7-12-3-5-16-6-4-12/h8-10,12,16H,3-7,11H2,1-2H3
InChIKeyKVHVHAVTOGRVAY-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine (CID 117377205) is 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine is COCc1cc(CC2CCNCC2)cc(OC)c1.
What is the InChIKey of 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
The InChIKey is KVHVHAVTOGRVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-11-14-8-13(9-15(10-14)18-2)7-12-3-5-16-6-4-12/h8-10,12,16H,3-7,11H2,1-2H3.
What are the key properties of 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine?
4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-5-(methoxymethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117377205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).