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

C19H22F3N3O3 — CID 10430901

IUPACacetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1
InChIInChI=1S/C17H18F3N3O.C2H4O2/c18-17(19,20)14-6-7-15(23-10-8-21-9-11-23)22-16(14)24-12-13-4-2-1-3-5-13;1-2(3)4/h1-7,21H,8-12H2;1H3,(H,3,4)
InChIKeyWOMFXSVGYYKEOF-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.18
Rot. Bonds4

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

acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10430901) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Nameacetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10430901
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Nameacetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1
InChIInChI=1S/C17H18F3N3O.C2H4O2/c18-17(19,20)14-6-7-15(23-10-8-21-9-11-23)22-16(14)24-12-13-4-2-1-3-5-13;1-2(3)4/h1-7,21H,8-12H2;1H3,(H,3,4)
InChIKeyWOMFXSVGYYKEOF-UHFFFAOYSA-N
XLogP3.18
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10430901) is acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(=O)O.FC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1.
What is the InChIKey of acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is WOMFXSVGYYKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O.C2H4O2/c18-17(19,20)14-6-7-15(23-10-8-21-9-11-23)22-16(14)24-12-13-4-2-1-3-5-13;1-2(3)4/h1-7,21H,8-12H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 397.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10430901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).