N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine

C17H26N2O2 — CID 43665501

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCC1COc2ccccc2O1
InChIInChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-9-14-11-20-16-6-4-5-7-17(16)21-14/h4-7,12-15,18H,8-11H2,1-3H3
InChIKeyYTBYOGCBCGOUAT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665501) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665501
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCC1COc2ccccc2O1
InChIInChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-9-14-11-20-16-6-4-5-7-17(16)21-14/h4-7,12-15,18H,8-11H2,1-3H3
InChIKeyYTBYOGCBCGOUAT-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine
CID 23571445
N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
CID 43665443
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclopentan-1-amine
CID 64502068
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 54892953
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxyethanamine
CID 60719601
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]urea
CID 138009909
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine (CID 43665501) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is YTBYOGCBCGOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-19(3)13(2)8-15(12)18-9-14-11-20-16-6-4-5-7-17(16)21-14/h4-7,12-15,18H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).