2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid

C14H23F3N2O2 — CID 65419689

IUPAC2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-18-5-7-19(8-6-18)13(10-12(20)21)4-2-3-11(9-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyFFUYAUQNQMDFSE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 65419689) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID65419689
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H23F3N2O2/c1-18-5-7-19(8-6-18)13(10-12(20)21)4-2-3-11(9-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyFFUYAUQNQMDFSE-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid (CID 65419689) is 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid is CN1CCN(C2(CC(=O)O)CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is FFUYAUQNQMDFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-18-5-7-19(8-6-18)13(10-12(20)21)4-2-3-11(9-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 65419689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).