butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C25H40F3N3O2 — CID 143404383

IUPACbutane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1.CCCC
InChIInChI=1S/C21H30F3N3O2.C4H10/c1-16(2)26-10-12-27(13-11-26)19(28)15-25-8-6-20(29,7-9-25)17-4-3-5-18(14-17)21(22,23)24;1-3-4-2/h3-5,14,16,29H,6-13,15H2,1-2H3;3-4H2,1-2H3
InChIKeyHVVICXRDRTVCPC-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.35
Rot. Bonds5

About butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 143404383) has the molecular formula C25H40F3N3O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Namebutane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID143404383
Molecular FormulaC25H40F3N3O2
Molecular Weight471.61 g/mol
Exact Mass471.31
IUPAC Namebutane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1.CCCC
InChIInChI=1S/C21H30F3N3O2.C4H10/c1-16(2)26-10-12-27(13-11-26)19(28)15-25-8-6-20(29,7-9-25)17-4-3-5-18(14-17)21(22,23)24;1-3-4-2/h3-5,14,16,29H,6-13,15H2,1-2H3;3-4H2,1-2H3
InChIKeyHVVICXRDRTVCPC-UHFFFAOYSA-N
XLogP4.35
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 68523754
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 10343628
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 10412060
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
2-[4-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 160729827
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
(3S)-3-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-2-one
CID 25396098
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51597205

Frequently Asked Questions

What is the IUPAC name of butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 143404383) is butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1.CCCC.
What is the InChIKey of butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HVVICXRDRTVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O2.C4H10/c1-16(2)26-10-12-27(13-11-26)19(28)15-25-8-6-20(29,7-9-25)17-4-3-5-18(14-17)21(22,23)24;1-3-4-2/h3-5,14,16,29H,6-13,15H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 471.61 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143404383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).