4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

C15H21NO3 — CID 117413201

IUPAC4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCNCC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-12(13)8-11-2-4-16-5-3-11/h9-11,16H,2-8H2,1H3
InChIKeyJYPLIGMPINKAIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds3

About 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117413201) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
PubChem CID117413201
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCNCC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-12(13)8-11-2-4-16-5-3-11/h9-11,16H,2-8H2,1H3
InChIKeyJYPLIGMPINKAIZ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]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-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
4-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117408332
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-[[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117476126
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (CID 117413201) is 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is COc1cc2c(cc1CC1CCNCC1)OCCO2.
What is the InChIKey of 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is JYPLIGMPINKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-12(13)8-11-2-4-16-5-3-11/h9-11,16H,2-8H2,1H3.
What are the key properties of 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 263.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117413201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).