1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine

C19H22F3N3O — CID 87767079

IUPAC1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2ccc(-c3cc(F)c(C)c(F)c3F)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-13-16(20)11-15(19(22)18(13)21)14-3-4-17(23-12-14)25-7-5-24(6-8-25)9-10-26-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyLPXWMMMMSFVMDZ-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine

1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine (PubChem CID 87767079) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine
PubChem CID87767079
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine
SMILESCOCCN1CCN(c2ccc(-c3cc(F)c(C)c(F)c3F)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-13-16(20)11-15(19(22)18(13)21)14-3-4-17(23-12-14)25-7-5-24(6-8-25)9-10-26-2/h3-4,11-12H,5-10H2,1-2H3
InChIKeyLPXWMMMMSFVMDZ-UHFFFAOYSA-N
XLogP3.24
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
CID 141044311
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
CID 121205984
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306
3-cyclobutyl-1-cyclohexyl-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742757
2-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-pyridin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 68805085
3-[4-(2-methoxyethyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 121205962
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
8-chloro-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-1-(3-methoxypropyl)-[1]benzofuro[3,2-d]pyrimidin-2-one
CID 71603222
2-methoxy-N-[[6-(4-propylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80631242

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine (CID 87767079) is 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine is COCCN1CCN(c2ccc(-c3cc(F)c(C)c(F)c3F)cn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine?
The InChIKey is LPXWMMMMSFVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-13-16(20)11-15(19(22)18(13)21)14-3-4-17(23-12-14)25-7-5-24(6-8-25)9-10-26-2/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine?
1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine has a molecular weight of 365.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 87767079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).