8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane

C24H30F9N3 — CID 155441008

IUPAC8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CN2CCC3(CCN(C(C(F)(F)F)C(F)(F)F)CC3)C2)c(N2CCCCC2)c1
InChIInChI=1S/C24H30F9N3/c25-22(26,27)18-5-4-17(19(14-18)35-9-2-1-3-10-35)15-34-11-6-21(16-34)7-12-36(13-8-21)20(23(28,29)30)24(31,32)33/h4-5,14,20H,1-3,6-13,15-16H2
InChIKeyBUKSLMLCCQDHDI-UHFFFAOYSA-N
MW531.51 g/mol
LogP6.48
Rot. Bonds4

About 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane

8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 155441008) has the molecular formula C24H30F9N3 and a molecular weight of 531.51 g/mol. Its IUPAC name is 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID155441008
Molecular FormulaC24H30F9N3
Molecular Weight531.51 g/mol
Exact Mass531.23
IUPAC Name8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(CN2CCC3(CCN(C(C(F)(F)F)C(F)(F)F)CC3)C2)c(N2CCCCC2)c1
InChIInChI=1S/C24H30F9N3/c25-22(26,27)18-5-4-17(19(14-18)35-9-2-1-3-10-35)15-34-11-6-21(16-34)7-12-36(13-8-21)20(23(28,29)30)24(31,32)33/h4-5,14,20H,1-3,6-13,15-16H2
InChIKeyBUKSLMLCCQDHDI-UHFFFAOYSA-N
XLogP6.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.51
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

1-[2-[[8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-5-(trifluoromethyl)phenyl]-3-methylpiperidine-3-carboxylic acid
CID 145401338
1,1,1,3,3,3-hexafluoropropan-2-yl 2-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155921902
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[2-(2,2-dihydroxyethyl)-2,7-diazaspiro[3.5]nonan-7-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 166719256
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;hydrochloride
CID 134522559
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid;dihydrochloride
CID 175732865
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
methanesulfonic acid;4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 166756567
2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489195
tert-butyl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 158931269
1,1,1,3,3,3-hexafluoropropan-2-yl 8-[[2-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[[2-(2-methylsulfonyl-2,7-diazaspiro[3.4]octan-7-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;1,1,1-trifluoropropan-2-yl 8-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157341885

Frequently Asked Questions

What is the IUPAC name of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 155441008) is 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is FC(F)(F)c1ccc(CN2CCC3(CCN(C(C(F)(F)F)C(F)(F)F)CC3)C2)c(N2CCCCC2)c1.
What is the InChIKey of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is BUKSLMLCCQDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F9N3/c25-22(26,27)18-5-4-17(19(14-18)35-9-2-1-3-10-35)15-34-11-6-21(16-34)7-12-36(13-8-21)20(23(28,29)30)24(31,32)33/h4-5,14,20H,1-3,6-13,15-16H2.
What are the key properties of 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 531.51 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 155441008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).