acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine

C20H23F4N3O4 — CID 10366217

IUPACacetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.COc1ccc(F)cc1COc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C18H19F4N3O2.C2H4O2/c1-26-15-4-2-13(19)10-12(15)11-27-17-14(18(20,21)22)3-5-16(24-17)25-8-6-23-7-9-25;1-2(3)4/h2-5,10,23H,6-9,11H2,1H3;1H3,(H,3,4)
InChIKeyJUYFEDCVVGHNAT-UHFFFAOYSA-N
MW445.41 g/mol
LogP3.33
Rot. Bonds5

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

acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10366217) has the molecular formula C20H23F4N3O4 and a molecular weight of 445.41 g/mol. Its IUPAC name is acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Nameacetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10366217
Molecular FormulaC20H23F4N3O4
Molecular Weight445.41 g/mol
Exact Mass445.16
IUPAC Nameacetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCC(=O)O.COc1ccc(F)cc1COc1nc(N2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C18H19F4N3O2.C2H4O2/c1-26-15-4-2-13(19)10-12(15)11-27-17-14(18(20,21)22)3-5-16(24-17)25-8-6-23-7-9-25;1-2(3)4/h2-5,10,23H,6-9,11H2,1H3;1H3,(H,3,4)
InChIKeyJUYFEDCVVGHNAT-UHFFFAOYSA-N
XLogP3.33
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10366217) is acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is CC(=O)O.COc1ccc(F)cc1COc1nc(N2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is JUYFEDCVVGHNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2.C2H4O2/c1-26-15-4-2-13(19)10-12(15)11-27-17-14(18(20,21)22)3-5-16(24-17)25-8-6-23-7-9-25;1-2(3)4/h2-5,10,23H,6-9,11H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine?
acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 445.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[6-[(5-fluoro-2-methoxyphenyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10366217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).