4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine

C16H19FN4O — CID 146074484

IUPAC4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(Cc3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C16H19FN4O/c1-22-16-10-15(18-12-19-16)21-7-5-20(6-8-21)11-13-3-2-4-14(17)9-13/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyAYPGVFDRDSYYNS-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.95
Rot. Bonds4

About 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine

4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine (PubChem CID 146074484) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
PubChem CID146074484
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCN(Cc3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C16H19FN4O/c1-22-16-10-15(18-12-19-16)21-7-5-20(6-8-21)11-13-3-2-4-14(17)9-13/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyAYPGVFDRDSYYNS-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
1-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-4-ol
CID 72934998
[4-[(3-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 56754356
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86795904
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine (CID 146074484) is 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCN(Cc3cccc(F)c3)CC2)ncn1.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine?
The InChIKey is AYPGVFDRDSYYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-22-16-10-15(18-12-19-16)21-7-5-20(6-8-21)11-13-3-2-4-14(17)9-13/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine?
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine has a molecular weight of 302.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 146074484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).