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

C15H21NO3 — CID 117413191

IUPAC3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCCNC1)OCOC2
InChIInChI=1S/C15H21NO3/c1-17-14-7-13-9-18-10-19-15(13)6-12(14)5-11-3-2-4-16-8-11/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeySRUMDRHWPGPDNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.10
Rot. Bonds3

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

3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117413191) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
PubChem CID117413191
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
SMILESCOc1cc2c(cc1CC1CCCNC1)OCOC2
InChIInChI=1S/C15H21NO3/c1-17-14-7-13-9-18-10-19-15(13)6-12(14)5-11-3-2-4-16-8-11/h6-7,11,16H,2-5,8-10H2,1H3
InChIKeySRUMDRHWPGPDNI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117476118
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pyrrolidine
CID 113291945
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
2-hydroxy-4-methoxy-5-(piperidin-3-ylmethyl)benzoic acid
CID 117417246
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine (CID 117413191) is 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine is COc1cc2c(cc1CC1CCCNC1)OCOC2.
What is the InChIKey of 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is SRUMDRHWPGPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-14-7-13-9-18-10-19-15(13)6-12(14)5-11-3-2-4-16-8-11/h6-7,11,16H,2-5,8-10H2,1H3.
What are the key properties of 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine?
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 263.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117413191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).