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

C14H23F3N2O2 — CID 65420769

IUPAC2-[1-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCN1CCN(CC1)C2(CCC(CC2)C(F)(F)F)CC(=O)O
InChIInChI=1S/C14H23F3N2O2/c1-18-6-8-19(9-7-18)13(10-12(20)21)4-2-11(3-5-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyDDBIFFQCJZMFAR-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.30
Rot. Bonds3

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

2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 65420769) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[1-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID65420769
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-[1-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCN1CCN(CC1)C2(CCC(CC2)C(F)(F)F)CC(=O)O
InChIInChI=1S/C14H23F3N2O2/c1-18-6-8-19(9-7-18)13(10-12(20)21)4-2-11(3-5-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21)
InChIKeyDDBIFFQCJZMFAR-UHFFFAOYSA-N
XLogP-0.30
TPSA43.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity371

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-Methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride
CID 75481424
1-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 62967574
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexane-1-carboxylic acid
CID 63075114
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cycloheptane-1-carboxylic acid
CID 63075115
4-Methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carboxylic acid
CID 63075287
2-[1-(Azepan-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64757959
2-[1-Morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64757960
2-[1-Pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758162
2-[1-(Dimethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758163
2-[1-(Diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758164
2-[1-Piperidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758368
2-[1-(Diethylamino)-3-(trifluoromethyl)cyclohexyl]acetic acid
CID 64759677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 65420769) is 2-[1-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid is CN1CCN(CC1)C2(CCC(CC2)C(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is DDBIFFQCJZMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-18-6-8-19(9-7-18)13(10-12(20)21)4-2-11(3-5-13)14(15,16)17/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-Methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 65420769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).