2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine

C22H30N2O3 — CID 70101267

IUPAC2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine
SMILESCOc1ccccc1N1CCC(C)CC1.NCC1COc2ccccc2O1
InChIInChI=1S/C13H19NO.C9H11NO2/c1-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15-2;10-5-7-6-11-8-3-1-2-4-9(8)12-7/h3-6,11H,7-10H2,1-2H3;1-4,7H,5-6,10H2
InChIKeySEVQOLYIDXOPDF-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.72
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine

2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine (PubChem CID 70101267) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine
PubChem CID70101267
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine
SMILESCOc1ccccc1N1CCC(C)CC1.NCC1COc2ccccc2O1
InChIInChI=1S/C13H19NO.C9H11NO2/c1-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15-2;10-5-7-6-11-8-3-1-2-4-9(8)12-7/h3-6,11H,7-10H2,1-2H3;1-4,7H,5-6,10H2
InChIKeySEVQOLYIDXOPDF-UHFFFAOYSA-N
XLogP3.72
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;2-(4-methylpiperidin-1-yl)pyridine;dihydrochloride
CID 70099233
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2867285
[5-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002315
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
(3S)-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 52511476
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120796726
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 10690393
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7986706
4-chloro-5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
CID 10930315

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine (CID 70101267) is 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine is COc1ccccc1N1CCC(C)CC1.NCC1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine?
The InChIKey is SEVQOLYIDXOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C9H11NO2/c1-11-7-9-14(10-8-11)12-5-3-4-6-13(12)15-2;10-5-7-6-11-8-3-1-2-4-9(8)12-7/h3-6,11H,7-10H2,1-2H3;1-4,7H,5-6,10H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine?
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine has a molecular weight of 370.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine is sourced from PubChem (CID 70101267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).