1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine

C15H25F3N2O — CID 147009928

IUPAC1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine
SMILESCC1CCC(N2CCN(C3COC3)CC2)C(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-11-2-3-14(13(8-11)15(16,17)18)20-6-4-19(5-7-20)12-9-21-10-12/h11-14H,2-10H2,1H3
InChIKeyWGCQTMAJERDRDK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine

1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine (PubChem CID 147009928) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine
PubChem CID147009928
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine
SMILESCC1CCC(N2CCN(C3COC3)CC2)C(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-11-2-3-14(13(8-11)15(16,17)18)20-6-4-19(5-7-20)12-9-21-10-12/h11-14H,2-10H2,1H3
InChIKeyWGCQTMAJERDRDK-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine?
The IUPAC name of 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine (CID 147009928) is 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine.
What is the SMILES notation for 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine?
The canonical SMILES for 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine is CC1CCC(N2CCN(C3COC3)CC2)C(C(F)(F)F)C1.
What is the InChIKey of 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine?
The InChIKey is WGCQTMAJERDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11-2-3-14(13(8-11)15(16,17)18)20-6-4-19(5-7-20)12-9-21-10-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine?
1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine has a molecular weight of 306.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(trifluoromethyl)cyclohexyl]-4-(oxetan-3-yl)piperazine is sourced from PubChem (CID 147009928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).