[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone

C19H31F3N2O4 — CID 157039347

IUPAC[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1
InChIInChI=1S/C19H31F3N2O4/c20-19(21,22)14-3-1-13(2-4-14)18(28)24-7-5-12(6-8-24)9-23-10-15(25)17(27)16(26)11-23/h12-17,25-27H,1-11H2
InChIKeyJRWWQONBFIHGDS-UHFFFAOYSA-N
MW408.46 g/mol
LogP0.99
Rot. Bonds3

About [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone

[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 157039347) has the molecular formula C19H31F3N2O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID157039347
Molecular FormulaC19H31F3N2O4
Molecular Weight408.46 g/mol
Exact Mass408.22
IUPAC Name[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1
InChIInChI=1S/C19H31F3N2O4/c20-19(21,22)14-3-1-13(2-4-14)18(28)24-7-5-12(6-8-24)9-23-10-15(25)17(27)16(26)11-23/h12-17,25-27H,1-11H2
InChIKeyJRWWQONBFIHGDS-UHFFFAOYSA-N
XLogP0.99
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(trifluoromethyl)cyclohexyl]-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286712
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
cyclohexyl-[4-fluoro-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039096
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
Cyclohexyl-[4-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039119
[4-(trifluoromethyl)cyclohexyl]-[4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039500
[4-[[4-Hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039583
[4-(trifluoromethyl)cyclohexyl]-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039675
[4-(trifluoromethyl)cyclohexyl]-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 166834289
[4-[[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169928472
(3-Hydroxypiperidin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932388
(4,4-Difluorocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 81932422

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone (CID 157039347) is [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone is O=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CC(O)C(O)C(O)C2)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JRWWQONBFIHGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N2O4/c20-19(21,22)14-3-1-13(2-4-14)18(28)24-7-5-12(6-8-24)9-23-10-15(25)17(27)16(26)11-23/h12-17,25-27H,1-11H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone?
[4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 408.46 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 157039347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).