6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C16H21F3N2O2 — CID 69226180

IUPAC6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CN2CCCC3(CNC3)C2)cc1
InChIInChI=1S/C14H20N2.C2HF3O2/c1-2-5-13(6-3-1)9-16-8-4-7-14(12-16)10-15-11-14;3-2(4,5)1(6)7/h1-3,5-6,15H,4,7-12H2;(H,6,7)
InChIKeyRWCOWZFPLFAANW-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.51
Rot. Bonds2

About 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 69226180) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID69226180
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CN2CCCC3(CNC3)C2)cc1
InChIInChI=1S/C14H20N2.C2HF3O2/c1-2-5-13(6-3-1)9-16-8-4-7-14(12-16)10-15-11-14;3-2(4,5)1(6)7/h1-3,5-6,15H,4,7-12H2;(H,6,7)
InChIKeyRWCOWZFPLFAANW-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 69226180) is 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CN2CCCC3(CNC3)C2)cc1.
What is the InChIKey of 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is RWCOWZFPLFAANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2HF3O2/c1-2-5-13(6-3-1)9-16-8-4-7-14(12-16)10-15-11-14;3-2(4,5)1(6)7/h1-3,5-6,15H,4,7-12H2;(H,6,7).
What are the key properties of 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 330.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,6-diazaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).