1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine

C23H25FN4O — CID 71061658

IUPAC1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine
SMILESCOc1cccc(C(F)CN2CCN(c3ncccc3-c3ccncc3)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-29-20-5-2-4-19(16-20)22(24)17-27-12-14-28(15-13-27)23-21(6-3-9-26-23)18-7-10-25-11-8-18/h2-11,16,22H,12-15,17H2,1H3
InChIKeyXUZBYVXNCNYNRB-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine

1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine (PubChem CID 71061658) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine
PubChem CID71061658
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine
SMILESCOc1cccc(C(F)CN2CCN(c3ncccc3-c3ccncc3)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-29-20-5-2-4-19(16-20)22(24)17-27-12-14-28(15-13-27)23-21(6-3-9-26-23)18-7-10-25-11-8-18/h2-11,16,22H,12-15,17H2,1H3
InChIKeyXUZBYVXNCNYNRB-UHFFFAOYSA-N
XLogP3.98
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
CID 129493110
1-[4-(2-fluoroethoxy)phenoxy]-3-[4-(3-pyridin-3-yl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 71474505
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
(2R)-2-[[4-(3-cyano-2-pyridinyl)piperazin-1-yl]methyl]-4-(3-methoxyanilino)-4-oxobutanoic acid
CID 95389338
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine (CID 71061658) is 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine is COc1cccc(C(F)CN2CCN(c3ncccc3-c3ccncc3)CC2)c1.
What is the InChIKey of 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine?
The InChIKey is XUZBYVXNCNYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-29-20-5-2-4-19(16-20)22(24)17-27-12-14-28(15-13-27)23-21(6-3-9-26-23)18-7-10-25-11-8-18/h2-11,16,22H,12-15,17H2,1H3.
What are the key properties of 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine?
1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine has a molecular weight of 392.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-2-(3-methoxyphenyl)ethyl]-4-(3-pyridin-4-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 71061658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).