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

C13H22F3N3O — CID 87002019

IUPAC(4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESCN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H22F3N3O/c1-17-6-8-19(9-7-17)12(20)11-2-4-18(5-3-11)10-13(14,15)16/h11H,2-10H2,1H3
InChIKeyFXXMXBLYPUTAGK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.03
Rot. Bonds2

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

(4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 87002019) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID87002019
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name(4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESCN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C13H22F3N3O/c1-17-6-8-19(9-7-17)12(20)11-2-4-18(5-3-11)10-13(14,15)16/h11H,2-10H2,1H3
InChIKeyFXXMXBLYPUTAGK-UHFFFAOYSA-N
XLogP1.03
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
4-(Cyclopropylmethyl)-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398731
1,4-Dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495669
4-Ethyl-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495686
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
2,2,3,3-Tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
CID 2933321
(1-Methylsulfonylpiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 45505232
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53515968
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 56788082
(2-Methylcyclopropyl)-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone
CID 72115548
1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 87002019) is (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is FXXMXBLYPUTAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-17-6-8-19(9-7-17)12(20)11-2-4-18(5-3-11)10-13(14,15)16/h11H,2-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 293.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 87002019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).