3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine

C15H21NO2 — CID 117371526

IUPAC3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
SMILESCc1cc(CC2CCCNC2)c2c(c1C)OCO2
InChIInChI=1S/C15H21NO2/c1-10-6-13(7-12-4-3-5-16-8-12)15-14(11(10)2)17-9-18-15/h6,12,16H,3-5,7-9H2,1-2H3
InChIKeyAUOXVFCYBPLNKJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds2

About 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine

3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine (PubChem CID 117371526) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
PubChem CID117371526
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
SMILESCc1cc(CC2CCCNC2)c2c(c1C)OCO2
InChIInChI=1S/C15H21NO2/c1-10-6-13(7-12-4-3-5-16-8-12)15-14(11(10)2)17-9-18-15/h6,12,16H,3-5,7-9H2,1-2H3
InChIKeyAUOXVFCYBPLNKJ-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117476637
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84815889
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine?
The IUPAC name of 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine (CID 117371526) is 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine is Cc1cc(CC2CCCNC2)c2c(c1C)OCO2.
What is the InChIKey of 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine?
The InChIKey is AUOXVFCYBPLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-13(7-12-4-3-5-16-8-12)15-14(11(10)2)17-9-18-15/h6,12,16H,3-5,7-9H2,1-2H3.
What are the key properties of 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine?
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine is sourced from PubChem (CID 117371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).