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

C15H21NO3 — CID 117413167

IUPAC2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCCCN1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-11(13)8-12-4-2-3-5-16-12/h9-10,12,16H,2-8H2,1H3
InChIKeyCRECMZFDALNUOJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds3

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

2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117413167) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
PubChem CID117413167
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCCCN1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-11(13)8-12-4-2-3-5-16-12/h9-10,12,16H,2-8H2,1H3
InChIKeyCRECMZFDALNUOJ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267
4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413201
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 104687990
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 113441439
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779
2-[[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]pyrrolidine
CID 117455379
2-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 117497131

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (CID 117413167) is 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is COc1cc2c(cc1CC1CCCCN1)OCCO2.
What is the InChIKey of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is CRECMZFDALNUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-13-10-15-14(18-6-7-19-15)9-11(13)8-12-4-2-3-5-16-12/h9-10,12,16H,2-8H2,1H3.
What are the key properties of 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 263.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117413167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).