2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

C104H159F6N17 — CID 162232898

IUPAC2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)CC1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H27F3N2.C18H26F3N3.3C17H27N3.C16H25N3/c1-17(2,3)24-13-10-18(14-24)8-11-23(12-9-18)16-6-4-15(5-7-16)19(20,21)22;1-16(2,3)24-11-7-17(13-24)5-9-23(10-6-17)14-4-8-22-15(12-14)18(19,20)21;1-16(2,3)20-12-7-17(8-13-20)6-11-19(14-17)15-4-9-18-10-5-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-16(2,3)20-12-8-17(14-20)7-4-11-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14/h4-7H,8-14H2,1-3H3;4,8,12H,5-7,9-11,13H2,1-3H3;4-5,9-10H,6-8,11-14H2,1-3H3;2*5-6,9-10H,4,7-8,11-14H2,1-3H3;4-5,8-9H,6-7,10-13H2,1-3H3
InChIKeyZVRAVPHINHEHGD-UHFFFAOYSA-N
MW1761.52 g/mol
LogP21.29
Rot. Bonds6

About 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane

2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (PubChem CID 162232898) has the molecular formula C104H159F6N17 and a molecular weight of 1761.52 g/mol. Its IUPAC name is 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
PubChem CID162232898
Molecular FormulaC104H159F6N17
Molecular Weight1761.52 g/mol
Exact Mass1760.29
IUPAC Name2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)CC1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1
InChIInChI=1S/C19H27F3N2.C18H26F3N3.3C17H27N3.C16H25N3/c1-17(2,3)24-13-10-18(14-24)8-11-23(12-9-18)16-6-4-15(5-7-16)19(20,21)22;1-16(2,3)24-11-7-17(13-24)5-9-23(10-6-17)14-4-8-22-15(12-14)18(19,20)21;1-16(2,3)20-12-7-17(8-13-20)6-11-19(14-17)15-4-9-18-10-5-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-16(2,3)20-12-8-17(14-20)7-4-11-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14/h4-7H,8-14H2,1-3H3;4,8,12H,5-7,9-11,13H2,1-3H3;4-5,9-10H,6-8,11-14H2,1-3H3;2*5-6,9-10H,4,7-8,11-14H2,1-3H3;4-5,8-9H,6-7,10-13H2,1-3H3
InChIKeyZVRAVPHINHEHGD-UHFFFAOYSA-N
XLogP21.29
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.52
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

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CID 157057096

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane (CID 162232898) is 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is CC(C)(C)N1CCC2(CCCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccnc(C(F)(F)F)c3)CC2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)C1.CC(C)(C)N1CCC2(CCN(c3ccncc3)C2)CC1.CC(C)(C)N1CCCC2(CCN(c3ccncc3)C2)C1.
What is the InChIKey of 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is ZVRAVPHINHEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2.C18H26F3N3.3C17H27N3.C16H25N3/c1-17(2,3)24-13-10-18(14-24)8-11-23(12-9-18)16-6-4-15(5-7-16)19(20,21)22;1-16(2,3)24-11-7-17(13-24)5-9-23(10-6-17)14-4-8-22-15(12-14)18(19,20)21;1-16(2,3)20-12-7-17(8-13-20)6-11-19(14-17)15-4-9-18-10-5-15;1-16(2,3)20-11-4-7-17(14-20)8-12-19(13-17)15-5-9-18-10-6-15;1-16(2,3)20-12-8-17(14-20)7-4-11-19(13-17)15-5-9-18-10-6-15;1-15(2,3)19-11-7-16(13-19)6-10-18(12-16)14-4-8-17-9-5-14/h4-7H,8-14H2,1-3H3;4,8,12H,5-7,9-11,13H2,1-3H3;4-5,9-10H,6-8,11-14H2,1-3H3;2*5-6,9-10H,4,7-8,11-14H2,1-3H3;4-5,8-9H,6-7,10-13H2,1-3H3.
What are the key properties of 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane?
2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 1761.52 g/mol, XLogP of 21.29, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-pyridin-4-yl-2,9-diazaspiro[4.5]decane;7-tert-butyl-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane;8-tert-butyl-2-pyridin-4-yl-2,8-diazaspiro[4.5]decane;2-tert-butyl-7-pyridin-4-yl-2,7-diazaspiro[4.4]nonane;2-tert-butyl-8-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane;2-tert-butyl-8-[2-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 162232898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).