1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine

C15H22N2O2 — CID 117019255

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine
SMILESCC1(C)C(N)CCCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-15(2)14(16)4-3-7-17(15)11-5-6-12-13(10-11)19-9-8-18-12/h5-6,10,14H,3-4,7-9,16H2,1-2H3
InChIKeyDSSOBCSZZCWSBU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine (PubChem CID 117019255) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine
PubChem CID117019255
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine
SMILESCC1(C)C(N)CCCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O2/c1-15(2)14(16)4-3-7-17(15)11-5-6-12-13(10-11)19-9-8-18-12/h5-6,10,14H,3-4,7-9,16H2,1-2H3
InChIKeyDSSOBCSZZCWSBU-UHFFFAOYSA-N
XLogP2.16
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
CID 117017052
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019827
methyl 4-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019247
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethylpyrrolidin-3-one
CID 117018076
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-yl]ethanol
CID 117028574
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013245
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 117022290
(1R,2S,6S,7S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11903024
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
CID 117007729

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine (CID 117019255) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine is CC1(C)C(N)CCCN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine?
The InChIKey is DSSOBCSZZCWSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)14(16)4-3-7-17(15)11-5-6-12-13(10-11)19-9-8-18-12/h5-6,10,14H,3-4,7-9,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine has a molecular weight of 262.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpiperidin-3-amine is sourced from PubChem (CID 117019255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).