2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine

C15H21NO2 — CID 141275446

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
SMILESCN1CCCCC1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-16-7-3-2-4-13(16)10-12-5-6-14-15(11-12)18-9-8-17-14/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeySXIWTGFHQNDDGN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine

2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine (PubChem CID 141275446) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
PubChem CID141275446
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
SMILESCN1CCCCC1Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-16-7-3-2-4-13(16)10-12-5-6-14-15(11-12)18-9-8-17-14/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeySXIWTGFHQNDDGN-UHFFFAOYSA-N
XLogP2.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine 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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654861
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexan-1-amine
CID 82383801
4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
2-[(4-methoxyphenyl)methyl]-1-methylazepane
CID 70599140
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
CID 95354319
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986778
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
[2-acetyloxy-4-[(1-methylpyrrolidin-2-yl)methyl]phenyl] acetate
CID 23452567
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 110607827
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(4-fluorophenyl)methyl]pyrrolidine
CID 110601884

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine (CID 141275446) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine is CN1CCCCC1Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine?
The InChIKey is SXIWTGFHQNDDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-7-3-2-4-13(16)10-12-5-6-14-15(11-12)18-9-8-17-14/h5-6,11,13H,2-4,7-10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine?
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine has a molecular weight of 247.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine is sourced from PubChem (CID 141275446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).