4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one

C23H34F3N3O — CID 142781297

IUPAC4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCC(CCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H34F3N3O/c1-19(30)5-9-27-10-6-20(7-11-27)8-12-28-13-15-29(16-14-28)22-4-2-3-21(17-22)18-23(24,25)26/h2-4,17,20H,5-16,18H2,1H3
InChIKeyVNGKDGTUQFVSPR-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.99
Rot. Bonds8

About 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one

4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one (PubChem CID 142781297) has the molecular formula C23H34F3N3O and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one
PubChem CID142781297
Molecular FormulaC23H34F3N3O
Molecular Weight425.54 g/mol
Exact Mass425.27
IUPAC Name4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one
SMILESCC(=O)CCN1CCC(CCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C23H34F3N3O/c1-19(30)5-9-27-10-6-20(7-11-27)8-12-28-13-15-29(16-14-28)22-4-2-3-21(17-22)18-23(24,25)26/h2-4,17,20H,5-16,18H2,1H3
InChIKeyVNGKDGTUQFVSPR-UHFFFAOYSA-N
XLogP3.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one with MolForge

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Related Compounds

4-[2-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 141198646
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
1-[4-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 157058108
N-[4-[2-[4-(3-acetylphenyl)piperazin-1-yl]ethyl]cyclohexylidene]-3,3,3-trifluoropropanamide
CID 149389344
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexen-1-yl]propan-2-one
CID 90968924
1-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 161300230
2-ethoxy-1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 24780925
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
3,3,3-trifluoro-N-[4-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]cyclohexylidene]propanamide
CID 162564557
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one?
The IUPAC name of 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one (CID 142781297) is 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one is CC(=O)CCN1CCC(CCN2CCN(c3cccc(CC(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one?
The InChIKey is VNGKDGTUQFVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O/c1-19(30)5-9-27-10-6-20(7-11-27)8-12-28-13-15-29(16-14-28)22-4-2-3-21(17-22)18-23(24,25)26/h2-4,17,20H,5-16,18H2,1H3.
What are the key properties of 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one?
4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one has a molecular weight of 425.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[3-(2,2,2-trifluoroethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 142781297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).