N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine

C23H27FN2O — CID 15839992

IUPACN-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine
SMILESFc1cc2c(c(N3CCC(NC4Cc5ccccc5C4)CC3)c1)OCCC2
InChIInChI=1S/C23H27FN2O/c24-19-12-18-6-3-11-27-23(18)22(15-19)26-9-7-20(8-10-26)25-21-13-16-4-1-2-5-17(16)14-21/h1-2,4-5,12,15,20-21,25H,3,6-11,13-14H2
InChIKeyMJVBMEVMDBMTPD-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.88
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine (PubChem CID 15839992) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine
PubChem CID15839992
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine
SMILESFc1cc2c(c(N3CCC(NC4Cc5ccccc5C4)CC3)c1)OCCC2
InChIInChI=1S/C23H27FN2O/c24-19-12-18-6-3-11-27-23(18)22(15-19)26-9-7-20(8-10-26)25-21-13-16-4-1-2-5-17(16)14-21/h1-2,4-5,12,15,20-21,25H,3,6-11,13-14H2
InChIKeyMJVBMEVMDBMTPD-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 N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine (CID 15839992) is N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine is Fc1cc2c(c(N3CCC(NC4Cc5ccccc5C4)CC3)c1)OCCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine?
The InChIKey is MJVBMEVMDBMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-19-12-18-6-3-11-27-23(18)22(15-19)26-9-7-20(8-10-26)25-21-13-16-4-1-2-5-17(16)14-21/h1-2,4-5,12,15,20-21,25H,3,6-11,13-14H2.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-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 N-(2,3-dihydro-1H-inden-2-yl)-1-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperidin-4-amine is sourced from PubChem (CID 15839992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).