[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H27F3N4O — CID 59846079

IUPAC[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C19H27F3N4O/c1-14(2)26-8-7-23-17(13-26)18(27)25-11-9-24(10-12-25)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,17,23H,7-13H2,1-2H3/t17-/m1/s1
InChIKeySJTVWAWBRKCFTJ-QGZVFWFLSA-N
MW384.45 g/mol
LogP2.04
Rot. Bonds3

About [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 59846079) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID59846079
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C19H27F3N4O/c1-14(2)26-8-7-23-17(13-26)18(27)25-11-9-24(10-12-25)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,17,23H,7-13H2,1-2H3/t17-/m1/s1
InChIKeySJTVWAWBRKCFTJ-QGZVFWFLSA-N
XLogP2.04
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
CID 143491994
[(2R)-4-cyclobutylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 141317151
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 141317152
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 64925755
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 59846079) is [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is SJTVWAWBRKCFTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-14(2)26-8-7-23-17(13-26)18(27)25-11-9-24(10-12-25)16-5-3-15(4-6-16)19(20,21)22/h3-6,14,17,23H,7-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 384.45 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 59846079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).