4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C20H28F3N3O — CID 69161572

IUPAC4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4cccc(C(F)(F)F)n4)CC3)C2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-3-18(24-17)25-11-8-19(9-12-25)10-13-26(14-19)15-4-6-16(27)7-5-15/h1-3,15-16,27H,4-14H2
InChIKeyJDPUQDMBKPYDJS-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.70
Rot. Bonds2

About 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69161572) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69161572
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CCC3(CCN(c4cccc(C(F)(F)F)n4)CC3)C2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-3-18(24-17)25-11-8-19(9-12-25)10-13-26(14-19)15-4-6-16(27)7-5-15/h1-3,15-16,27H,4-14H2
InChIKeyJDPUQDMBKPYDJS-UHFFFAOYSA-N
XLogP3.70
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69161572) is 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CCC3(CCN(c4cccc(C(F)(F)F)n4)CC3)C2)CC1.
What is the InChIKey of 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is JDPUQDMBKPYDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c21-20(22,23)17-2-1-3-18(24-17)25-11-8-19(9-12-25)10-13-26(14-19)15-4-6-16(27)7-5-15/h1-3,15-16,27H,4-14H2.
What are the key properties of 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 383.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[6-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69161572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).