4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C19H25N5O — CID 112886571

IUPAC4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-2-4-17(5-3-1)16-22-8-10-23(11-9-22)18-6-7-20-19(21-18)24-12-14-25-15-13-24/h1-7H,8-16H2
InChIKeyJWECEHZTJOQBBD-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.64
Rot. Bonds4

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

4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 112886571) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID112886571
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESc1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-2-4-17(5-3-1)16-22-8-10-23(11-9-22)18-6-7-20-19(21-18)24-12-14-25-15-13-24/h1-7H,8-16H2
InChIKeyJWECEHZTJOQBBD-UHFFFAOYSA-N
XLogP1.64
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154575792
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 112886571) is 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine is c1ccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is JWECEHZTJOQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-4-17(5-3-1)16-22-8-10-23(11-9-22)18-6-7-20-19(21-18)24-12-14-25-15-13-24/h1-7H,8-16H2.
What are the key properties of 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 339.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 112886571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).