piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H20F3N3O — CID 61259794

IUPACpiperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-1-3-16-4-2-10/h10,16H,1-9H2
InChIKeyWJLDVFIBWONWJP-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.69
Rot. Bonds2

About piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61259794) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61259794
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Namepiperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-1-3-16-4-2-10/h10,16H,1-9H2
InChIKeyWJLDVFIBWONWJP-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
thiomorpholin-4-yl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 87019770
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259978
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
(2R,5S)-5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944525
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61259794) is piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(C1CCNCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is WJLDVFIBWONWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-1-3-16-4-2-10/h10,16H,1-9H2.
What are the key properties of piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 279.31 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61259794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).