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

C19H24FN5O — CID 146074434

IUPAC4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESFc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C19H24FN5O/c20-17-3-1-2-16(14-17)15-23-6-8-24(9-7-23)18-4-5-21-19(22-18)25-10-12-26-13-11-25/h1-5,14H,6-13,15H2
InChIKeyCBAVRFHBSVYIPX-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.77
Rot. Bonds4

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

4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 146074434) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID146074434
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESFc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1
InChIInChI=1S/C19H24FN5O/c20-17-3-1-2-16(14-17)15-23-6-8-24(9-7-23)18-4-5-21-19(22-18)25-10-12-26-13-11-25/h1-5,14H,6-13,15H2
InChIKeyCBAVRFHBSVYIPX-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 112886405
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
4-[4-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 136536132
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 166604849
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793
4-[4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 163349088

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 146074434) is 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is Fc1cccc(CN2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1.
What is the InChIKey of 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is CBAVRFHBSVYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c20-17-3-1-2-16(14-17)15-23-6-8-24(9-7-23)18-4-5-21-19(22-18)25-10-12-26-13-11-25/h1-5,14H,6-13,15H2.
What are the key properties of 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 357.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 146074434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).