1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

C23H27FN2O — CID 15839996

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCC4)CC1)C2
InChIInChI=1S/C23H27FN2O/c24-19-7-6-17-14-21(15-18(17)13-19)25-20-8-10-26(11-9-20)22-5-1-3-16-4-2-12-27-23(16)22/h1,3,5-7,13,20-21,25H,2,4,8-12,14-15H2
InChIKeyRJDOVNUUXOKEOU-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.88
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine

1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (PubChem CID 15839996) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
PubChem CID15839996
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
SMILESFc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCC4)CC1)C2
InChIInChI=1S/C23H27FN2O/c24-19-7-6-17-14-21(15-18(17)13-19)25-20-8-10-26(11-9-20)22-5-1-3-16-4-2-12-27-23(16)22/h1,3,5-7,13,20-21,25H,2,4,8-12,14-15H2
InChIKeyRJDOVNUUXOKEOU-UHFFFAOYSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine (CID 15839996) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is Fc1ccc2c(c1)CC(NC1CCN(c3cccc4c3OCCC4)CC1)C2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
The InChIKey is RJDOVNUUXOKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-19-7-6-17-14-21(15-18(17)13-19)25-20-8-10-26(11-9-20)22-5-1-3-16-4-2-12-27-23(16)22/h1,3,5-7,13,20-21,25H,2,4,8-12,14-15H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine has a molecular weight of 366.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperidin-4-amine is sourced from PubChem (CID 15839996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).