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

C17H26N2O2 — CID 81295796

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCc2ccc3c(c2)OCCO3)CCN1C
InChIInChI=1S/C17H26N2O2/c1-13-11-15(6-8-19(13)2)18-7-5-14-3-4-16-17(12-14)21-10-9-20-16/h3-4,12-13,15,18H,5-11H2,1-2H3
InChIKeyNUCWACGMCDCUNY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds4

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81295796) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81295796
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCc2ccc3c(c2)OCCO3)CCN1C
InChIInChI=1S/C17H26N2O2/c1-13-11-15(6-8-19(13)2)18-7-5-14-3-4-16-17(12-14)21-10-9-20-16/h3-4,12-13,15,18H,5-11H2,1-2H3
InChIKeyNUCWACGMCDCUNY-UHFFFAOYSA-N
XLogP2.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301541
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 97321684
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654861
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 60713488

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine (CID 81295796) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NCCc2ccc3c(c2)OCCO3)CCN1C.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is NUCWACGMCDCUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-11-15(6-8-19(13)2)18-7-5-14-3-4-16-17(12-14)21-10-9-20-16/h3-4,12-13,15,18H,5-11H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81295796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).