1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine

C12H22F3N3 — CID 70974052

IUPAC1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCC(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H22F3N3/c1-16-4-2-11(3-5-16)18-8-6-17(7-9-18)10-12(13,14)15/h11H,2-10H2,1H3
InChIKeyXWLACVIEQUYDTH-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.26
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine

1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 70974052) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID70974052
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCN1CCC(N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H22F3N3/c1-16-4-2-11(3-5-16)18-8-6-17(7-9-18)10-12(13,14)15/h11H,2-10H2,1H3
InChIKeyXWLACVIEQUYDTH-UHFFFAOYSA-N
XLogP1.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine (CID 70974052) is 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine is CN1CCC(N2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is XWLACVIEQUYDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-16-4-2-11(3-5-16)18-8-6-17(7-9-18)10-12(13,14)15/h11H,2-10H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 265.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 70974052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).