1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine

C16H24N2O2 — CID 115311841

IUPAC1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-11-9-14(17)5-6-18(11)12(2)13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10-12,14H,5-9,17H2,1-2H3
InChIKeyBKKNJIFRXRUWHN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.33
Rot. Bonds2

About 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine

1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine (PubChem CID 115311841) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
PubChem CID115311841
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1C(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O2/c1-11-9-14(17)5-6-18(11)12(2)13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10-12,14H,5-9,17H2,1-2H3
InChIKeyBKKNJIFRXRUWHN-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
1-[1-(2,5-dimethylphenyl)ethyl]-2-methylpiperidin-4-amine
CID 113284244
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
CID 64979618
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylpiperidin-4-amine
CID 82970842
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64734545
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
CID 79462709
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine (CID 115311841) is 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine is CC1CC(N)CCN1C(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine?
The InChIKey is BKKNJIFRXRUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-14(17)5-6-18(11)12(2)13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10-12,14H,5-9,17H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine?
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine is sourced from PubChem (CID 115311841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).