4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine

C16H25NO — CID 117117828

IUPAC4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine
SMILESCOC(C)Cc1cccc(CC2CCNCC2)c1
InChIInChI=1S/C16H25NO/c1-13(18-2)10-15-4-3-5-16(12-15)11-14-6-8-17-9-7-14/h3-5,12-14,17H,6-11H2,1-2H3
InChIKeyQXLILHBAYGETTI-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.81
Rot. Bonds5

About 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine

4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine (PubChem CID 117117828) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine
PubChem CID117117828
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine
SMILESCOC(C)Cc1cccc(CC2CCNCC2)c1
InChIInChI=1S/C16H25NO/c1-13(18-2)10-15-4-3-5-16(12-15)11-14-6-8-17-9-7-14/h3-5,12-14,17H,6-11H2,1-2H3
InChIKeyQXLILHBAYGETTI-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine (CID 117117828) is 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine is COC(C)Cc1cccc(CC2CCNCC2)c1.
What is the InChIKey of 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine?
The InChIKey is QXLILHBAYGETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(18-2)10-15-4-3-5-16(12-15)11-14-6-8-17-9-7-14/h3-5,12-14,17H,6-11H2,1-2H3.
What are the key properties of 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine?
4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxypropyl)phenyl]methyl]piperidine is sourced from PubChem (CID 117117828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).