1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine

C11H20F3N3 — CID 115101266

IUPAC1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCNCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)10-7-16-5-6-17(10)8-9-1-3-15-4-2-9/h9-10,15-16H,1-8H2
InChIKeyHNBZZOZHBLHXJQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.82
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine

1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101266) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine
PubChem CID115101266
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1CC1CCNCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)10-7-16-5-6-17(10)8-9-1-3-15-4-2-9/h9-10,15-16H,1-8H2
InChIKeyHNBZZOZHBLHXJQ-UHFFFAOYSA-N
XLogP0.82
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine (CID 115101266) is 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine?
The InChIKey is HNBZZOZHBLHXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)10-7-16-5-6-17(10)8-9-1-3-15-4-2-9/h9-10,15-16H,1-8H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine?
1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine has a molecular weight of 251.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).