4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

C23H25FN4O2 — CID 56556990

IUPAC4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CCN2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-29-20-6-2-18(3-7-20)11-13-27-14-16-28(17-15-27)23-25-12-10-22(26-23)30-21-8-4-19(24)5-9-21/h2-10,12H,11,13-17H2,1H3
InChIKeyQMNVTCPTJFUHLG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.78
Rot. Bonds7

About 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine

4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 56556990) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
PubChem CID56556990
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(CCN2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-29-20-6-2-18(3-7-20)11-13-27-14-16-28(17-15-27)23-25-12-10-22(26-23)30-21-8-4-19(24)5-9-21/h2-10,12H,11,13-17H2,1H3
InChIKeyQMNVTCPTJFUHLG-UHFFFAOYSA-N
XLogP3.78
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
4-(4-fluorophenoxy)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pyrimidine
CID 56574204
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
CID 56554033
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine
CID 177308102
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine (CID 56556990) is 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is COc1ccc(CCN2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is QMNVTCPTJFUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-29-20-6-2-18(3-7-20)11-13-27-14-16-28(17-15-27)23-25-12-10-22(26-23)30-21-8-4-19(24)5-9-21/h2-10,12H,11,13-17H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine?
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 408.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 56556990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).