3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine

C15H23NO3 — CID 117417679

IUPAC3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(OC)cc(C2CCCNC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-10-12-7-13(18-2)8-14(15(12)19-3)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyGABVTQDDRFSVHL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.32
Rot. Bonds5

About 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine

3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine (PubChem CID 117417679) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
PubChem CID117417679
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
SMILESCOCc1cc(OC)cc(C2CCCNC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-10-12-7-13(18-2)8-14(15(12)19-3)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyGABVTQDDRFSVHL-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)piperidine
CID 117427657
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(5-chloro-3-methoxy-2,4-dimethylphenyl)piperidine
CID 117387979
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497485
3-(4-methoxyphenyl)piperidine
CID 12937920

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine?
The IUPAC name of 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine (CID 117417679) is 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine.
What is the SMILES notation for 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine?
The canonical SMILES for 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine is COCc1cc(OC)cc(C2CCCNC2)c1OC.
What is the InChIKey of 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine?
The InChIKey is GABVTQDDRFSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-10-12-7-13(18-2)8-14(15(12)19-3)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine?
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine has a molecular weight of 265.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine is sourced from PubChem (CID 117417679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).