2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine

C19H24FN5 — CID 112884490

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
SMILESFc1ccccc1N1CCN(c2nccc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H24FN5/c20-16-6-2-3-7-17(16)23-12-14-25(15-13-23)19-21-9-8-18(22-19)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-15H2
InChIKeyXXGJTKHGDOFNJS-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.93
Rot. Bonds3

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine (PubChem CID 112884490) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
PubChem CID112884490
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
SMILESFc1ccccc1N1CCN(c2nccc(N3CCCCC3)n2)CC1
InChIInChI=1S/C19H24FN5/c20-16-6-2-3-7-17(16)23-12-14-25(15-13-23)19-21-9-8-18(22-19)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-15H2
InChIKeyXXGJTKHGDOFNJS-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]quinoxaline
CID 154883204
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine (CID 112884490) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine is Fc1ccccc1N1CCN(c2nccc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine?
The InChIKey is XXGJTKHGDOFNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c20-16-6-2-3-7-17(16)23-12-14-25(15-13-23)19-21-9-8-18(22-19)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine has a molecular weight of 341.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine is sourced from PubChem (CID 112884490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).