1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine

C15H24N2O3 — CID 140641207

IUPAC1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine
SMILESNC1CCN(CCOC2CC=CC3=C2OCCO3)CC1
InChIInChI=1S/C15H24N2O3/c16-12-4-6-17(7-5-12)8-9-18-13-2-1-3-14-15(13)20-11-10-19-14/h1,3,12-13H,2,4-11,16H2
InChIKeyBFVYQMUSNLPNBB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine

1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine (PubChem CID 140641207) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine
PubChem CID140641207
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine
SMILESNC1CCN(CCOC2CC=CC3=C2OCCO3)CC1
InChIInChI=1S/C15H24N2O3/c16-12-4-6-17(7-5-12)8-9-18-13-2-1-3-14-15(13)20-11-10-19-14/h1,3,12-13H,2,4-11,16H2
InChIKeyBFVYQMUSNLPNBB-UHFFFAOYSA-N
XLogP1.01
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]-3-methoxypiperidin-4-amine
CID 163773109
1-[2-(2,3,5,6-Tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-amine
CID 140641199
[1-[2-(2,3,5,6-Tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-yl]methanamine
CID 140641209
1-(4-Aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol
CID 142554658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine (CID 140641207) is 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine is NC1CCN(CCOC2CC=CC3=C2OCCO3)CC1.
What is the InChIKey of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine?
The InChIKey is BFVYQMUSNLPNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-12-4-6-17(7-5-12)8-9-18-13-2-1-3-14-15(13)20-11-10-19-14/h1,3,12-13H,2,4-11,16H2.
What are the key properties of 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine?
1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine has a molecular weight of 280.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5,6-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 140641207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).