4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine

C20H26FN5O — CID 133315639

IUPAC4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
SMILESCN1CCCC(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1
InChIInChI=1S/C20H26FN5O/c1-24-10-2-3-17(15-24)25-11-13-26(14-12-25)20-22-9-8-19(23-20)27-18-6-4-16(21)5-7-18/h4-9,17H,2-3,10-15H2,1H3
InChIKeySECZZRKXULKMQC-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.62
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine

4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 133315639) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
PubChem CID133315639
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
SMILESCN1CCCC(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1
InChIInChI=1S/C20H26FN5O/c1-24-10-2-3-17(15-24)25-11-13-26(14-12-25)20-22-9-8-19(23-20)27-18-6-4-16(21)5-7-18/h4-9,17H,2-3,10-15H2,1H3
InChIKeySECZZRKXULKMQC-UHFFFAOYSA-N
XLogP2.62
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine (CID 133315639) is 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine is CN1CCCC(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2)C1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is SECZZRKXULKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-24-10-2-3-17(15-24)25-11-13-26(14-12-25)20-22-9-8-19(23-20)27-18-6-4-16(21)5-7-18/h4-9,17H,2-3,10-15H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 371.46 g/mol, XLogP of 2.62, 4 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-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133315639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).