1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine

C18H21F2N3O — CID 136529893

IUPAC1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
SMILESCOc1ccnc(N2CCN(CCc3cccc(F)c3F)CC2)c1
InChIInChI=1S/C18H21F2N3O/c1-24-15-5-7-21-17(13-15)23-11-9-22(10-12-23)8-6-14-3-2-4-16(19)18(14)20/h2-5,7,13H,6,8-12H2,1H3
InChIKeyHWMDMGXJSARSIE-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.73
Rot. Bonds5

About 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine

1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine (PubChem CID 136529893) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
PubChem CID136529893
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
SMILESCOc1ccnc(N2CCN(CCc3cccc(F)c3F)CC2)c1
InChIInChI=1S/C18H21F2N3O/c1-24-15-5-7-21-17(13-15)23-11-9-22(10-12-23)8-6-14-3-2-4-16(19)18(14)20/h2-5,7,13H,6,8-12H2,1H3
InChIKeyHWMDMGXJSARSIE-UHFFFAOYSA-N
XLogP2.73
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
CID 110008942
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110
3-(2-aminophenyl)-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120612990
7-bromo-5-fluoro-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]isoquinoline
CID 166336145
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110412088
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
4-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]-2-methoxypyrimidine
CID 136545794
1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165435291
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine?
The IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine (CID 136529893) is 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine is COc1ccnc(N2CCN(CCc3cccc(F)c3F)CC2)c1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine?
The InChIKey is HWMDMGXJSARSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-24-15-5-7-21-17(13-15)23-11-9-22(10-12-23)8-6-14-3-2-4-16(19)18(14)20/h2-5,7,13H,6,8-12H2,1H3.
What are the key properties of 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine?
1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine has a molecular weight of 333.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 136529893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).