8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol

C24H31F3N4O — CID 155214836

IUPAC8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(O)N3)c1
InChIInChI=1S/C24H31F3N4O/c1-16-6-5-7-18(12-16)23(30(3)4)10-8-22(9-11-23)15-31(21(32)29-22)19-14-28-20(13-17(19)2)24(25,26)27/h5-7,12-14,21,29,32H,8-11,15H2,1-4H3
InChIKeyJXXACSSIRYDGFS-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.17
Rot. Bonds3

About 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 155214836) has the molecular formula C24H31F3N4O and a molecular weight of 448.53 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID155214836
Molecular FormulaC24H31F3N4O
Molecular Weight448.53 g/mol
Exact Mass448.24
IUPAC Name8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(O)N3)c1
InChIInChI=1S/C24H31F3N4O/c1-16-6-5-7-18(12-16)23(30(3)4)10-8-22(9-11-23)15-31(21(32)29-22)19-14-28-20(13-17(19)2)24(25,26)27/h5-7,12-14,21,29,32H,8-11,15H2,1-4H3
InChIKeyJXXACSSIRYDGFS-UHFFFAOYSA-N
XLogP4.17
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol (CID 155214836) is 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol is Cc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(O)N3)c1.
What is the InChIKey of 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is JXXACSSIRYDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O/c1-16-6-5-7-18(12-16)23(30(3)4)10-8-22(9-11-23)15-31(21(32)29-22)19-14-28-20(13-17(19)2)24(25,26)27/h5-7,12-14,21,29,32H,8-11,15H2,1-4H3.
What are the key properties of 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 448.53 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 155214836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).