1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine

C15H19F3N2 — CID 79741185

IUPAC1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)11-2-1-7-20(9-11)14-6-3-10-8-12(19)4-5-13(10)14/h4-5,8,11,14H,1-3,6-7,9,19H2
InChIKeyCIFYJUJGGONVOI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.53
Rot. Bonds1

About 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine

1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 79741185) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
PubChem CID79741185
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)CCC2N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)11-2-1-7-20(9-11)14-6-3-10-8-12(19)4-5-13(10)14/h4-5,8,11,14H,1-3,6-7,9,19H2
InChIKeyCIFYJUJGGONVOI-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509
1-(2-azaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79746635
1-(2-azaspiro[3.6]decan-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721711
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-(azetidin-1-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105471084
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,3-dihydro-1H-inden-5-amine
CID 79723785

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine (CID 79741185) is 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)CCC2N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is CIFYJUJGGONVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c16-15(17,18)11-2-1-7-20(9-11)14-6-3-10-8-12(19)4-5-13(10)14/h4-5,8,11,14H,1-3,6-7,9,19H2.
What are the key properties of 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine?
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 284.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79741185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).