4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H27N5O — CID 154829699

IUPAC4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-4-18(5-3-1)7-9-23-10-12-25(13-11-23)20-21-8-6-19(22-20)24-14-16-26-17-15-24/h1-6,8H,7,9-17H2
InChIKeyMDACWHDEBPUKIR-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.68
Rot. Bonds5

About 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 154829699) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID154829699
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-4-18(5-3-1)7-9-23-10-12-25(13-11-23)20-21-8-6-19(22-20)24-14-16-26-17-15-24/h1-6,8H,7,9-17H2
InChIKeyMDACWHDEBPUKIR-UHFFFAOYSA-N
XLogP1.68
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282526
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 154829699) is 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is MDACWHDEBPUKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-4-18(5-3-1)7-9-23-10-12-25(13-11-23)20-21-8-6-19(22-20)24-14-16-26-17-15-24/h1-6,8H,7,9-17H2.
What are the key properties of 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 154829699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).