3-(1,3-benzodioxol-5-yl)-3-methylpiperidine

C13H17NO2 — CID 82285836

IUPAC3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
SMILESCC1(c2ccc3c(c2)OCO3)CCCNC1
InChIInChI=1S/C13H17NO2/c1-13(5-2-6-14-8-13)10-3-4-11-12(7-10)16-9-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyCBBOQVOBNQORBQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine

3-(1,3-benzodioxol-5-yl)-3-methylpiperidine (PubChem CID 82285836) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
PubChem CID82285836
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
SMILESCC1(c2ccc3c(c2)OCO3)CCCNC1
InChIInChI=1S/C13H17NO2/c1-13(5-2-6-14-8-13)10-3-4-11-12(7-10)16-9-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyCBBOQVOBNQORBQ-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
CID 63156117
3-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-3-ol
CID 63586788
4-(1,3-benzodioxol-5-yl)-4-fluoropiperidine
CID 83822990
2-(1,3-benzodioxol-5-yl)spiro[3.6]decan-2-amine
CID 65007449
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-ol
CID 55213394
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
CID 165360308
(3aR,7aR)-3a-(1,3-benzodioxol-5-yl)-3,4,5,6,7,7a-hexahydro-1H-indol-2-one
CID 15461724
2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
CID 175106521

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine (CID 82285836) is 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine is CC1(c2ccc3c(c2)OCO3)CCCNC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine?
The InChIKey is CBBOQVOBNQORBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(5-2-6-14-8-13)10-3-4-11-12(7-10)16-9-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine?
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine has a molecular weight of 219.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-methylpiperidine is sourced from PubChem (CID 82285836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).