1-[4-(trifluoromethyl)cyclohexyl]piperazine

C11H19F3N2 — CID 64755935

IUPAC1-[4-(trifluoromethyl)cyclohexyl]piperazine
SMILESFC(F)(F)C1CCC(N2CCNCC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h9-10,15H,1-8H2
InChIKeyDCXRJCIFEULAIA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexyl]piperazine

1-[4-(trifluoromethyl)cyclohexyl]piperazine (PubChem CID 64755935) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]piperazine
PubChem CID64755935
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]piperazine
SMILESFC(F)(F)C1CCC(N2CCNCC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h9-10,15H,1-8H2
InChIKeyDCXRJCIFEULAIA-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]piperazine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]piperazine (CID 64755935) is 1-[4-(trifluoromethyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]piperazine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]piperazine is FC(F)(F)C1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]piperazine?
The InChIKey is DCXRJCIFEULAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h9-10,15H,1-8H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]piperazine?
1-[4-(trifluoromethyl)cyclohexyl]piperazine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]piperazine is sourced from PubChem (CID 64755935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).