3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

C15H21NO3 — CID 117412926

IUPAC3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESCOCc1ccc(C2CCCNC2)c2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-17-10-12-4-5-13(11-3-2-6-16-9-11)15-14(12)18-7-8-19-15/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyRCJDMLXHEFASMQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds3

About 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine

3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (PubChem CID 117412926) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.

Molecular Properties

Compound Name3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
PubChem CID117412926
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
SMILESCOCc1ccc(C2CCCNC2)c2c1OCCO2
InChIInChI=1S/C15H21NO3/c1-17-10-12-4-5-13(11-3-2-6-16-9-11)15-14(12)18-7-8-19-15/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyRCJDMLXHEFASMQ-UHFFFAOYSA-N
XLogP2.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
CID 117456883
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]piperidine
CID 117417688
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
[5-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472234
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117397957
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526
N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
CID 117323156
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613

Frequently Asked Questions

What is the IUPAC name of 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The IUPAC name of 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine (CID 117412926) is 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine.
What is the SMILES notation for 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The canonical SMILES for 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is COCc1ccc(C2CCCNC2)c2c1OCCO2.
What is the InChIKey of 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
The InChIKey is RCJDMLXHEFASMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-10-12-4-5-13(11-3-2-6-16-9-11)15-14(12)18-7-8-19-15/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine?
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine has a molecular weight of 263.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine is sourced from PubChem (CID 117412926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).