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

C15H22N2O2 — CID 43607109

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
SMILESCN(CC1COc2ccccc2O1)C1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-17(12-6-8-16-9-7-12)10-13-11-18-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyFUOQVCOLGRXVBM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.51
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine (PubChem CID 43607109) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
PubChem CID43607109
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
SMILESCN(CC1COc2ccccc2O1)C1CCNCC1
InChIInChI=1S/C15H22N2O2/c1-17(12-6-8-16-9-7-12)10-13-11-18-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3
InChIKeyFUOQVCOLGRXVBM-UHFFFAOYSA-N
XLogP1.51
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
CID 63301028
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613861
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119683309
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 72927693
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119683209
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980416

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine (CID 43607109) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine is CN(CC1COc2ccccc2O1)C1CCNCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine?
The InChIKey is FUOQVCOLGRXVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(12-6-8-16-9-7-12)10-13-11-18-14-4-2-3-5-15(14)19-13/h2-5,12-13,16H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine has a molecular weight of 262.35 g/mol, XLogP of 1.51, 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)-N-methylpiperidin-4-amine is sourced from PubChem (CID 43607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).