4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine

C17H21FN4O2 — CID 136568988

IUPAC4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(N2CCN(c3ccc(F)cc3OC)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-23-12-16-19-6-5-17(20-16)22-9-7-21(8-10-22)14-4-3-13(18)11-15(14)24-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYJJGHJDWBXFWCZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.10
Rot. Bonds5

About 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine

4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine (PubChem CID 136568988) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
PubChem CID136568988
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
SMILESCOCc1nccc(N2CCN(c3ccc(F)cc3OC)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-23-12-16-19-6-5-17(20-16)22-9-7-21(8-10-22)14-4-3-13(18)11-15(14)24-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYJJGHJDWBXFWCZ-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
CID 133315726
2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 10869888
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 136517944
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
4-[2-(methoxymethyl)pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 138023007
3-[4-[2-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 11090058
1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 133315780
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
CID 67704408
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine (CID 136568988) is 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine is COCc1nccc(N2CCN(c3ccc(F)cc3OC)CC2)n1.
What is the InChIKey of 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine?
The InChIKey is YJJGHJDWBXFWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-23-12-16-19-6-5-17(20-16)22-9-7-21(8-10-22)14-4-3-13(18)11-15(14)24-2/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine?
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine has a molecular weight of 332.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 136568988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).