1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

C22H25FN2O2 — CID 15839987

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C22H25FN2O2/c23-17-5-4-15-13-19(14-16(15)12-17)24-18-6-8-25(9-7-18)20-2-1-3-21-22(20)27-11-10-26-21/h1-5,12,18-19,24H,6-11,13-14H2
InChIKeyUNUJRVRWPYDMAF-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.32
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (PubChem CID 15839987) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
PubChem CID15839987
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C22H25FN2O2/c23-17-5-4-15-13-19(14-16(15)12-17)24-18-6-8-25(9-7-18)20-2-1-3-21-22(20)27-11-10-26-21/h1-5,12,18-19,24H,6-11,13-14H2
InChIKeyUNUJRVRWPYDMAF-UHFFFAOYSA-N
XLogP3.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (CID 15839987) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is Fc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCO4)CC1)C2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The InChIKey is UNUJRVRWPYDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-17-5-4-15-13-19(14-16(15)12-17)24-18-6-8-25(9-7-18)20-2-1-3-21-22(20)27-11-10-26-21/h1-5,12,18-19,24H,6-11,13-14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine has a molecular weight of 368.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is sourced from PubChem (CID 15839987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).