4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

C16H19FN4 — CID 155974702

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-2-4-15(17)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyRPODSCADHOVKHE-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.25
Rot. Bonds3

About 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (PubChem CID 155974702) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
PubChem CID155974702
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cncnc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-2-4-15(17)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyRPODSCADHOVKHE-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
5-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 136522199
2-[[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 163346240
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
CID 167814593
5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
5-chloro-4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 166794115
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
CID 44523935

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine (CID 155974702) is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is Cc1cncnc1N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is RPODSCADHOVKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-13-10-18-12-19-16(13)21-8-6-20(7-9-21)11-14-2-4-15(17)5-3-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine?
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 286.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 155974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).