1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid

C18H24F3NO3 — CID 154884658

IUPAC1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCCN(CCC2CCc3ccccc32)C1
InChIInChI=1S/C16H23NO.C2HF3O2/c18-15-5-3-10-17(12-15)11-9-14-8-7-13-4-1-2-6-16(13)14;3-2(4,5)1(6)7/h1-2,4,6,14-15,18H,3,5,7-12H2;(H,6,7)
InChIKeyVRIJAIRNGOWKRD-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.20
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid

1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 154884658) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID154884658
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1CCCN(CCC2CCc3ccccc32)C1
InChIInChI=1S/C16H23NO.C2HF3O2/c18-15-5-3-10-17(12-15)11-9-14-8-7-13-4-1-2-6-16(13)14;3-2(4,5)1(6)7/h1-2,4,6,14-15,18H,3,5,7-12H2;(H,6,7)
InChIKeyVRIJAIRNGOWKRD-UHFFFAOYSA-N
XLogP3.20
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid (CID 154884658) is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1CCCN(CCC2CCc3ccccc32)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is VRIJAIRNGOWKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C2HF3O2/c18-15-5-3-10-17(12-15)11-9-14-8-7-13-4-1-2-6-16(13)14;3-2(4,5)1(6)7/h1-2,4,6,14-15,18H,3,5,7-12H2;(H,6,7).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid?
1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 359.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154884658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).