6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)

C21H26F9N3O6 — CID 155865700

IUPAC6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cccc(CN2CCCCC23CCNC3)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3.3C2HF3O2/c1-13-5-4-6-14(17-13)11-18-10-3-2-7-15(18)8-9-16-12-15;3*3-2(4,5)1(6)7/h4-6,16H,2-3,7-12H2,1H3;3*(H,6,7)
InChIKeyGMYYLHOUNBJDQN-UHFFFAOYSA-N
MW587.44 g/mol
LogP4.01
Rot. Bonds2

About 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)

6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155865700) has the molecular formula C21H26F9N3O6 and a molecular weight of 587.44 g/mol. Its IUPAC name is 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
PubChem CID155865700
Molecular FormulaC21H26F9N3O6
Molecular Weight587.44 g/mol
Exact Mass587.17
IUPAC Name6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
SMILESCc1cccc(CN2CCCCC23CCNC3)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3.3C2HF3O2/c1-13-5-4-6-14(17-13)11-18-10-3-2-7-15(18)8-9-16-12-15;3*3-2(4,5)1(6)7/h4-6,16H,2-3,7-12H2,1H3;3*(H,6,7)
InChIKeyGMYYLHOUNBJDQN-UHFFFAOYSA-N
XLogP4.01
TPSA140.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.44
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 155833051
1-[(6-methyl-2-pyridinyl)methyl]-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742482
1-[(6-methoxy-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64845816
2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261513
1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493960
9-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-4-oxa-1,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155826477
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490526
8-(5-fluoropyrimidin-2-yl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744025
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155834789
2-[(6-methyl-2-pyridinyl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746600

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) (CID 155865700) is 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) is Cc1cccc(CN2CCCCC23CCNC3)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is GMYYLHOUNBJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.3C2HF3O2/c1-13-5-4-6-14(17-13)11-18-10-3-2-7-15(18)8-9-16-12-15;3*3-2(4,5)1(6)7/h4-6,16H,2-3,7-12H2,1H3;3*(H,6,7).
What are the key properties of 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)?
6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 587.44 g/mol, XLogP of 4.01, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155865700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).