4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

C20H26FN5O — CID 136536132

IUPAC4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC(c1cccc(F)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H26FN5O/c1-16(17-3-2-4-18(21)15-17)24-7-9-25(10-8-24)19-5-6-22-20(23-19)26-11-13-27-14-12-26/h2-6,15-16H,7-14H2,1H3
InChIKeyDUDABHCMVGROMG-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.34
Rot. Bonds4

About 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 136536132) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID136536132
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCC(c1cccc(F)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H26FN5O/c1-16(17-3-2-4-18(21)15-17)24-7-9-25(10-8-24)19-5-6-22-20(23-19)26-11-13-27-14-12-26/h2-6,15-16H,7-14H2,1H3
InChIKeyDUDABHCMVGROMG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 136536132) is 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is CC(c1cccc(F)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is DUDABHCMVGROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-16(17-3-2-4-18(21)15-17)24-7-9-25(10-8-24)19-5-6-22-20(23-19)26-11-13-27-14-12-26/h2-6,15-16H,7-14H2,1H3.
What are the key properties of 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 371.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 136536132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).