acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

C20H30F3N3O3 — CID 10454647

IUPACacetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCCC1
InChIInChI=1S/C18H26F3N3O.C2H4O2/c19-18(20,21)15-6-7-16(24-11-9-22-10-12-24)23-17(15)25-13-8-14-4-2-1-3-5-14;1-2(3)4/h6-7,14,22H,1-5,8-13H2;1H3,(H,3,4)
InChIKeyPCJAICHMDCZKCD-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.95
Rot. Bonds5

About acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine

acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10454647) has the molecular formula C20H30F3N3O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Nameacetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10454647
Molecular FormulaC20H30F3N3O3
Molecular Weight417.47 g/mol
Exact Mass417.22
IUPAC Nameacetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCCC1
InChIInChI=1S/C18H26F3N3O.C2H4O2/c19-18(20,21)15-6-7-16(24-11-9-22-10-12-24)23-17(15)25-13-8-14-4-2-1-3-5-14;1-2(3)4/h6-7,14,22H,1-5,8-13H2;1H3,(H,3,4)
InChIKeyPCJAICHMDCZKCD-UHFFFAOYSA-N
XLogP3.95
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 535721
1-[6-[[2-(Phenoxymethyl)phenyl]methoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10006279
(3R)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10093032
1-[6-[2-(2,6-Difluorophenoxy)ethoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 11754128
1-[6-(Cyclohexylmethoxy)-2-pyridinyl]piperazine
CID 13795746
(1S,5R)-3-[5-[(cyclohexylamino)methyl]-6-(3-methylbutoxy)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 162655829
US20250066377, Example 17
CID 168942069
Acetic acid;1-[6-methoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 9973341
1-[6-Methoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 9973342
Acetic acid;1-[6-[(2,6-difluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 9980292
1-[6-[(2,6-Difluorophenyl)methoxy]-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 9980293
Acetic acid;1-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10004150

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10454647) is acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCCC1CCCCC1.
What is the InChIKey of acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is PCJAICHMDCZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O.C2H4O2/c19-18(20,21)15-6-7-16(24-11-9-22-10-12-24)23-17(15)25-13-8-14-4-2-1-3-5-14;1-2(3)4/h6-7,14,22H,1-5,8-13H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine?
acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 417.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).