3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine

C15H21NO2 — CID 117371265

IUPAC3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OC(C)(C)O2
InChIInChI=1S/C15H21NO2/c1-10-7-13-14(18-15(2,3)17-13)8-12(10)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3
InChIKeyRUXJTAWZIXPDBV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.97
Rot. Bonds1

About 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine

3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine (PubChem CID 117371265) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
PubChem CID117371265
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
SMILESCc1cc2c(cc1C1CCCNC1)OC(C)(C)O2
InChIInChI=1S/C15H21NO2/c1-10-7-13-14(18-15(2,3)17-13)8-12(10)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3
InChIKeyRUXJTAWZIXPDBV-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117497145
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436349
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
3-(2-methyl-4-methylsulfanylphenyl)piperidine
CID 117317191
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine (CID 117371265) is 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine is Cc1cc2c(cc1C1CCCNC1)OC(C)(C)O2.
What is the InChIKey of 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine?
The InChIKey is RUXJTAWZIXPDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-13-14(18-15(2,3)17-13)8-12(10)11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3.
What are the key properties of 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine?
3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 117371265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).