4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid

C17H18F3NO2 — CID 57404445

IUPAC4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc2c(C3CCNCC3)cccc2c1
InChIInChI=1S/C15H17N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h1-7,13,16H,8-11H2;(H,6,7)
InChIKeyOYAPYVCGQLOWKC-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.94
Rot. Bonds1

About 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid

4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 57404445) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID57404445
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc2c(C3CCNCC3)cccc2c1
InChIInChI=1S/C15H17N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h1-7,13,16H,8-11H2;(H,6,7)
InChIKeyOYAPYVCGQLOWKC-UHFFFAOYSA-N
XLogP3.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid (CID 57404445) is 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc2c(C3CCNCC3)cccc2c1.
What is the InChIKey of 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is OYAPYVCGQLOWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C2HF3O2/c1-2-6-14-12(4-1)5-3-7-15(14)13-8-10-16-11-9-13;3-2(4,5)1(6)7/h1-7,13,16H,8-11H2;(H,6,7).
What are the key properties of 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid?
4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 325.33 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57404445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).