1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine

C15H21NO2 — CID 46889878

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
SMILESCC1(C)CCCCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-15(2)7-3-4-8-16(15)10-12-5-6-13-14(9-12)18-11-17-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyGPMQMLKRUGUSNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.18
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine

1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine (PubChem CID 46889878) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
PubChem CID46889878
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine
SMILESCC1(C)CCCCN1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-15(2)7-3-4-8-16(15)10-12-5-6-13-14(9-12)18-11-17-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyGPMQMLKRUGUSNE-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017174
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215847
1-[1-(1,3-benzodioxol-5-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929385
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 121174182
5-(1,3-benzodioxol-5-ylmethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243529
1-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopentan-1-amine
CID 82129060
7-(1,3-benzodioxol-5-ylmethyl)-2-oxa-7-azaspiro[3.4]octane
CID 46889877
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064368
1-[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72879323

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine (CID 46889878) is 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine is CC1(C)CCCCN1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine?
The InChIKey is GPMQMLKRUGUSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)7-3-4-8-16(15)10-12-5-6-13-14(9-12)18-11-17-13/h5-6,9H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine?
1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine has a molecular weight of 247.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylpiperidine is sourced from PubChem (CID 46889878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).