6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane

C16H21F3N2 — CID 64846799

IUPAC6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
SMILESFC(F)(F)c1cccc(CN2CCNCC23CCCC3)c1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-21-9-8-20-12-15(21)6-1-2-7-15/h3-5,10,20H,1-2,6-9,11-12H2
InChIKeyIWJDIXFWHASGBG-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.42
Rot. Bonds2

About 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane

6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64846799) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64846799
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
SMILESFC(F)(F)c1cccc(CN2CCNCC23CCCC3)c1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-21-9-8-20-12-15(21)6-1-2-7-15/h3-5,10,20H,1-2,6-9,11-12H2
InChIKeyIWJDIXFWHASGBG-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
1-(azetidin-3-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 66202708
methyl (2R)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 71204758
1-benzyl-4-thia-1,8-diazaspiro[5.5]undecane
CID 82380002
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane (CID 64846799) is 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane is FC(F)(F)c1cccc(CN2CCNCC23CCCC3)c1.
What is the InChIKey of 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is IWJDIXFWHASGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)14-5-3-4-13(10-14)11-21-9-8-20-12-15(21)6-1-2-7-15/h3-5,10,20H,1-2,6-9,11-12H2.
What are the key properties of 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane?
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 298.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64846799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).